Geometry & MOs

Info

ID:

3455

PubChem CID:

9677

Reduced:

O3C28H44 (1)

Stoich.:

A3B28C44 (1)

Weight, g/mol:

428.329045

ΔHf, kcal/mol:

-200.5

Dipole, Da:

4.79

IP(EA), eV:

 -9.78(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,10R,13S,14S,17S)-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] decanoate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C

DOS

IR

Vibrations