Geometry & MOs

Info

ID:

3637

PubChem CID:

9875

Reduced:

ClO4C24H31 (1)

Stoich.:

AB4C24D31 (1)

Weight, g/mol:

418.191087

ΔHf, kcal/mol:

-189.37

Dipole, Da:

10.27

IP(EA), eV:

 -9.3(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2C3C=C(C4=CC(=O)CCC4([C@H]3CCC2([C@]1(C(=O)C)OC(=O)C)C)C)Cl

DOS

IR

Vibrations