Geometry & MOs

Info

ID:

4354

PubChem CID:

11274

Reduced:

O3C20H32 (1)

Stoich.:

A3B20C32 (1)

Weight, g/mol:

320.235145

ΔHf, kcal/mol:

-186.39

Dipole, Da:

4.81

IP(EA), eV:

 -10.07(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(C[C@H](C(=O)C4)CO)C

DOS

IR

Vibrations