Geometry & MOs

Info

ID:

158913

PubChem CID:

57244193

Reduced:

NO2C15H21 (2)

Stoich.:

AB2C15D21 (2)

Weight, g/mol:

360.246458

ΔHf, kcal/mol:

-118.46

Dipole, Da:

2.61

IP(EA), eV:

 -8.17(0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R,9R,10R,13S,14S)-7-ethyl-16-fluoro-1,6,10,13-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CCCN1CC2=CC(=C(C=C2C[C@H]1CCC[C@@](C#N)(C3=CC(=C(C=C3)OC)OC)C(C)C)OC)OC

DOS

IR

Vibrations