Geometry & MOs

Info

ID:

8836

PubChem CID:

82152

Reduced:

OC12H16 (2)

Stoich.:

AB12C16 (2)

Weight, g/mol:

352.24023

ΔHf, kcal/mol:

-64.62

Dipole, Da:

2.42

IP(EA), eV:

 -9.3(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations