Geometry & MOs

Info

ID:

856

PubChem CID:

3443

Reduced:

O6C31H48 (1)

Stoich.:

A6B31C48 (1)

Weight, g/mol:

516.345089

ΔHf, kcal/mol:

-327.21

Dipole, Da:

4.85

IP(EA), eV:

 -9.29(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(16-acetyloxy-3,11-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid

Drug info:

PubChemData

Smile

CC1C2CCC3(C(C2(CCC1O)C)C(CC4C3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C

DOS

IR

Vibrations