Geometry & MOs

Info

ID:

379619

PubChem CID:

134451670

Reduced:

OC12H20 (2)

Stoich.:

AB12C20 (2)

Weight, g/mol:

456.269816

ΔHf, kcal/mol:

-160.69

Dipole, Da:

3.49

IP(EA), eV:

 -9.2(1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,8S,10R,13S,17R)-17-[(2S)-1-(benzenesulfonyl)propan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C[C@H](CCC(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@H]3CC[C@@H](C4)O)C

DOS

IR

Vibrations