Geometry & MOs

Info

ID:

2149

PubChem CID:

6011

Reduced:

OC10H16 (2)

Stoich.:

AB10C16 (2)

Weight, g/mol:

304.24023

ΔHf, kcal/mol:

-143.3

Dipole, Da:

3.14

IP(EA), eV:

 -9.71(0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@]2([C@@H](CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C)CC1=O)C

DOS

IR

Vibrations