Geometry & MOs

Info

ID:

5556

PubChem CID:

13327

Reduced:

ClO3C21H29 (1)

Stoich.:

AB3C21D29 (1)

Weight, g/mol:

364.180522

ΔHf, kcal/mol:

-172.15

Dipole, Da:

6.87

IP(EA), eV:

 -9.51(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,10R,13S,14S,17S)-4-chloro-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C(C(=O)CC[C@]34C)Cl)C

DOS

IR

Vibrations