Geometry & MOs

Info

ID:

13228

PubChem CID:

223527

Reduced:

O4C23H34 (1)

Stoich.:

A4B23C34 (1)

Weight, g/mol:

374.24571

ΔHf, kcal/mol:

-224.85

Dipole, Da:

2.88

IP(EA), eV:

 -9.54(0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@@H]4OC(=O)C)C)C

DOS

IR

Vibrations