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Showing structure for CHEM020514: N,O-bis(Trimethylsilyl)acetamide
25248 -OEChem-10091914563D 33 32 0 0 0 0 0 0 0999 V2000 -2.4331 -0.2323 -0.0064 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.3661 -0.4095 -0.0263 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 1.0340 0.0043 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -0.1727 -0.0144 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1912 0.4459 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2361 -1.3137 1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -1.3034 -1.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9581 0.3878 1.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7495 -2.2168 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 0.4762 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 0.9560 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 2.3487 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9185 -0.3712 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3685 1.0593 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 1.0650 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3512 -0.7170 2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9918 -2.1046 1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 -1.7843 1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9785 -2.0902 -1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3178 -0.6995 -2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2344 -1.7794 -1.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0694 1.4700 1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2727 0.1864 2.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 -0.0096 1.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3083 -2.7100 0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3573 -2.7100 -0.9092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8294 -2.3918 0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.2981 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 1.5560 -1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0752 0.1261 -1.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 2.5096 0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1686 2.5324 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 3.0895 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 3 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 25248 > <PUBCHEM_CONFORMER_RMSD> 0.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 13 6 10 3 8 9 12 2 11 4 7 5 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 12 1 0.54 10 -0.08 11 0.54 12 0.06 2 0.64 3 -0.45 4 -0.85 5 -0.08 6 -0.08 7 -0.08 8 -0.08 9 -0.08 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 3 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 12 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 1 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 000062A000000001 > <PUBCHEM_MMFF94_ENERGY> 18.0078 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 10130415 120 18186517687608100161 12162725 195 11241972568382621182 12616999 72 18186813494959385846 12932764 1 18059860562380138602 13296908 3 18412546517712587051 14115302 16 17676213459216156303 14178342 30 18199451324390196811 15375358 24 18409438211141247009 15775835 57 18060414716145878070 16945 1 18339078305995669924 19786989 88 17022905670120328366 20201158 50 18333732420374325987 20279233 1 18341609330265543898 20281407 28 18341897393811620819 20281475 54 18335707143589958459 20523700 14 18333739025986424583 20528008 55 17131825478285280003 20645477 70 18272653419917201126 20711985 365 18120938304317017572 23402539 116 18412267276894239900 23419403 2 13710402522480017241 23552423 10 18197774612370833373 23557571 272 18335693885300657480 23559900 14 18260267400446032490 23598291 2 17899433994963307564 3248919 1 18113333115631845334 74978 22 18271246135528374743 8030462 33 18411424981640060910 81228 2 18264204708103104344 > <PUBCHEM_SHAPE_MULTIPOLES> 272.53 6.5 1.94 1.4 2.02 0.09 -0.02 -1.09 0.07 -0.67 0 -0.26 -0.3 -0.02 > <PUBCHEM_SHAPE_SELFOVERLAP> 472.438 > <PUBCHEM_SHAPE_VOLUME> 181.7 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM020514: N,O-bis(Trimethylsilyl)acetamide
