Geometry & MOs

Info

ID:

2083

PubChem CID:

5753

Reduced:

O4C21H30 (1)

Stoich.:

A4B21C30 (1)

Weight, g/mol:

346.214409

ΔHf, kcal/mol:

-140.59

Dipole, Da:

7.97

IP(EA), eV:

 -8.65(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O

DOS

IR

Vibrations