Geometry & MOs

Info

ID:

5557

PubChem CID:

13328

Reduced:

O3C22H34 (1)

Stoich.:

A3B22C34 (1)

Weight, g/mol:

346.250795

ΔHf, kcal/mol:

-187.16

Dipole, Da:

3.02

IP(EA), eV:

 -9.88(0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCC(=O)C4)C)C

DOS

IR

Vibrations