Geometry & MOs

Info

ID:

3256

PubChem CID:

9403

Reduced:

O3C26H36 (1)

Stoich.:

A3B26C36 (1)

Weight, g/mol:

396.266445

ΔHf, kcal/mol:

-170.43

Dipole, Da:

2.04

IP(EA), eV:

 -8.72(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations