Geometry & MOs

Info

ID:

5968

PubChem CID:

14197

Reduced:

O4C23H32 (1)

Stoich.:

A4B23C32 (1)

Weight, g/mol:

372.23006

ΔHf, kcal/mol:

-198.48

Dipole, Da:

5.2

IP(EA), eV:

 -10.11(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(5R,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-oxo-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@H]1CCC3C2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C

DOS

IR

Vibrations