Geometry & MOs

Info

ID:

7065

PubChem CID:

71151

Reduced:

O4C25H38 (1)

Stoich.:

A4B25C38 (1)

Weight, g/mol:

402.27701

ΔHf, kcal/mol:

-221.15

Dipole, Da:

8.47

IP(EA), eV:

 -9.77(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3-oxo-7-propyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCC1CC2=CC(=O)CC[C@@]2([C@@H]3C1[C@@H]4CC[C@]([C@]4(CC3)C)(CCC(=O)O)O)C

DOS

IR

Vibrations