Geometry & MOs

Info

ID:

392233

PubChem CID:

135013809

Reduced:

O3C22H34 (1)

Stoich.:

A3B22C34 (1)

Weight, g/mol:

432.360345

ΔHf, kcal/mol:

-188.1

Dipole, Da:

3.13

IP(EA), eV:

 -9.88(0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[(3S,5S,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylheptanoate

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4CC(=O)OC)C

DOS

IR

Vibrations