Geometry & MOs

Info

ID:

3204

PubChem CID:

9324

Reduced:

ClO4C23H29 (1)

Stoich.:

AB4C23D29 (1)

Weight, g/mol:

404.175437

ΔHf, kcal/mol:

-187.41

Dipole, Da:

3.59

IP(EA), eV:

 -9.75(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations