Geometry & MOs

Info

ID:

218743

PubChem CID:

85089897

Reduced:

N6O8C21H38 (1)

Stoich.:

A6B8C21D38 (1)

Weight, g/mol:

502.329439

ΔHf, kcal/mol:

-399.0

Dipole, Da:

3.59

IP(EA), eV:

 -9.49(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(3,11-dihydroxy-4,4,10,13,14-pentamethyl-7-oxo-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(CCCCN)C(=O)O)N

DOS

IR

Vibrations