Geometry & MOs

Info

ID:

218917

PubChem CID:

85090156

Reduced:

Si2N4O7C22H37 (1)

Stoich.:

A2B4C7D22E37 (1)

Weight, g/mol:

526.365825

ΔHf, kcal/mol:

-361.11

Dipole, Da:

3.52

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.897414

Charge, e:

 0

Chem-info

IUPAC name:

6-(12-acetyloxy-3-hydroxy-4,4,10,13,14,17-hexamethyl-1,2,3,5,6,12,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-methylhept-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)[N+]3=CC(=C)C(=O)N(C3=O)C)O[Si](C)(C)C)C(=NC(=O)O2)N

DOS

IR

Vibrations