Geometry & MOs

Info

ID:

59742

PubChem CID:

24895377

Reduced:

O3N5C32H37 (1)

Stoich.:

A3B5C32D37 (1)

Weight, g/mol:

396.23006

ΔHf, kcal/mol:

-75.63

Dipole, Da:

6.51

IP(EA), eV:

 -8.6(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9S,10R,13S,14S)-17-acetyl-10,13-dimethyl-6-oxo-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-yl] cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CCCN2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)CN5CCN(CC5)C(=O)C

DOS

IR

Vibrations