Geometry & MOs

Info

ID:

2145

PubChem CID:

5996

Reduced:

OC28H44 (1)

Stoich.:

AB28C44 (1)

Weight, g/mol:

396.339216

ΔHf, kcal/mol:

-87.88

Dipole, Da:

2.99

IP(EA), eV:

 -8.39(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,10R,13R,17R)-17-(5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CC(C)C(C)C=CC(C)[C@H]1CCC2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C

DOS

IR

Vibrations