Geometry & MOs

Info

ID:

10743

PubChem CID:

107563

Reduced:

ClO2C21H29 (1)

Stoich.:

AB2C21D29 (1)

Weight, g/mol:

348.185608

ΔHf, kcal/mol:

-122.8

Dipole, Da:

6.8

IP(EA), eV:

 -9.96(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,8S,9R,10S,13S,14S,17S)-17-acetyl-6-chloro-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@@]34C)Cl)C

DOS

IR

Vibrations