Geometry & MOs

Info

ID:

7064

PubChem CID:

71150

Reduced:

KO4C25H37 (1)

Stoich.:

AB4C25D37 (1)

Weight, g/mol:

440.232891

ΔHf, kcal/mol:

-265.9

Dipole, Da:

8.13

IP(EA), eV:

 -9.44(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

potassium;3-[(7R,8R,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]propanoate

Drug info:

PubChemData

Smile

CCC[C@@H]1CC2=CC(=O)CC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(CCC(=O)[O-])O)C.[K+]

DOS

IR

Vibrations