Geometry & MOs

Info

ID:

188897

PubChem CID:

77780092

Reduced:

N3O5H19C22 (1)

Stoich.:

A3B5C19D22 (1)

Weight, g/mol:

439.272259

ΔHf, kcal/mol:

-43.42

Dipole, Da:

3.2

IP(EA), eV:

 -9.14(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(17-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N(C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations