Geometry & MOs

Info

ID:

305287

PubChem CID:

124767960

Reduced:

SN2O3H30C31 (1)

Stoich.:

AB2C3D30E31 (1)

Weight, g/mol:

288.20893

ΔHf, kcal/mol:

-55.81

Dipole, Da:

4.55

IP(EA), eV:

 -8.82(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8S,9R,10S,13S,14R)-10,13-dimethyl-2,3,4,5,6,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-7,17-dione

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)C

DOS

IR

Vibrations