Geometry & MOs

Info

ID:

303709

PubChem CID:

124490085

Reduced:

O2C12H15 (2)

Stoich.:

A2B12C15 (2)

Weight, g/mol:

382.214409

ΔHf, kcal/mol:

-153.05

Dipole, Da:

3.46

IP(EA), eV:

 -8.76(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=CC[C@@H]3[C@@H]([C@@H]2CC1)CC[C@]4([C@@H]3CC[C@]4(C#C)OC(=O)C)C

DOS

IR

Vibrations