Geometry & MOs

Info

ID:

146411

PubChem CID:

53685127

Reduced:

N4O7C30H36 (1)

Stoich.:

A4B7C30D36 (1)

Weight, g/mol:

352.24023

ΔHf, kcal/mol:

-265.44

Dipole, Da:

1.47

IP(EA), eV:

 -9.59(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,13S,17R)-10,13-dimethyl-17-penta-2,4-dien-2-yl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)OCC3=CC=CC=C3)NC(=O)CNC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations