Geometry & MOs

Info

ID:

303693

PubChem CID:

124490059

Reduced:

N3O7C25H27 (1)

Stoich.:

A3B7C25D27 (1)

Weight, g/mol:

342.219495

ΔHf, kcal/mol:

-262.71

Dipole, Da:

6.89

IP(EA), eV:

 -9.8(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,10R,13R,14R,17R)-17-hydroxy-17-(1-methoxyethenyl)-10,13-dimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC[C@H]2[C@@H](C[C@@H](O2)N3CN(C(=O)NC3=O)C)OC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations