Geometry & MOs

Info

ID:

396306

PubChem CID:

135028039

Reduced:

N2Si2Cl3O11C41H67 (1)

Stoich.:

A2B2C3D11E41F67 (1)

Weight, g/mol:

1022.567907

ΔHf, kcal/mol:

-612.66

Dipole, Da:

3.74

IP(EA), eV:

 -8.99(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[N'-[(2S,6S,9S)-7-[tert-butyl(dimethyl)silyl]oxy-4-ethoxy-9-hydroxy-9-[(R)-hydroxy-[(1S,5S,8R)-8,11,11-trimethyl-4-oxo-3-oxa-6-azatricyclo[6.2.1.02,7]undec-6-en-5-yl]methyl]-1-tri(propan-2-yl)silyloxy-3,11,12-trioxatetracyclo[6.3.1.02,6.05,10]dodecan-6-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Drug info:

PubChemData

Smile

CCOC1C2C3[C@](C4C([C@]2([C@H](O1)C(O3)(O4)O[Si](C(C)C)(C(C)C)C(C)C)NC(=O)C(Cl)(Cl)Cl)O[Si](C)(C)C(C)(C)C)([C@@H]([C@H]5C(=O)OC6[C@H]7CC[C@@](C6=N5)(C7(C)C)C)O)O

DOS

IR

Vibrations