Geometry & MOs

Info

ID:

12854

PubChem CID:

147076

Reduced:

O4C21H32 (1)

Stoich.:

A4B21C32 (1)

Weight, g/mol:

348.23006

ΔHf, kcal/mol:

-207.5

Dipole, Da:

6.52

IP(EA), eV:

 -9.91(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations