Geometry & MOs

Info

ID:

19430

PubChem CID:

563499

Reduced:

O2C35H54 (1)

Stoich.:

A2B35C54 (1)

Weight, g/mol:

506.412381

ΔHf, kcal/mol:

-156.29

Dipole, Da:

1.98

IP(EA), eV:

 -9.41(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)C(CC5=CC=CC=C5)O)C)C

DOS

IR

Vibrations