Geometry & MOs

Info

ID:

4234

PubChem CID:

11015

Reduced:

O4C23H34 (1)

Stoich.:

A4B23C34 (1)

Weight, g/mol:

374.24571

ΔHf, kcal/mol:

-212.52

Dipole, Da:

5.58

IP(EA), eV:

 -10.19(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations