Geometry & MOs

Info

ID:

147768

PubChem CID:

53787426

Reduced:

NOSC22H27 (1)

Stoich.:

ABCD22E27 (1)

Weight, g/mol:

462.240624

ΔHf, kcal/mol:

-8.04

Dipole, Da:

4.11

IP(EA), eV:

 -9.26(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S)-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-4,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2)CCC4=CC(=O)C(C[C@]34C)C5=CSC=N5

DOS

IR

Vibrations