Geometry & MOs

Info

ID:

53970

PubChem CID:

14718475

Reduced:

SiO3C27H44 (1)

Stoich.:

AB3C27D44 (1)

Weight, g/mol:

441.269921

ΔHf, kcal/mol:

-223.06

Dipole, Da:

5.04

IP(EA), eV:

 -8.98(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy-dimethylsilyl]propanenitrile

Drug info:

PubChemData

Smile

CC(=O)[C@@H]1CC[C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O[Si](C)(C)C(C)(C)C)C

DOS

IR

Vibrations