Geometry & MOs

Info

ID:

20264

PubChem CID:

582830

Reduced:

O7C32H42 (1)

Stoich.:

A7B32C42 (1)

Weight, g/mol:

538.293054

ΔHf, kcal/mol:

-321.09

Dipole, Da:

6.09

IP(EA), eV:

 -9.74(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-acetyl-12-acetyloxy-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-yl) 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)C1CCC2(C1(C(C(C3C2CCC4C3(CCC(C4)O)C)OC(=O)C=CC5=CC=CC=C5)OC(=O)C)C)O

DOS

IR

Vibrations