Geometry & MOs

Info

ID:

386046

PubChem CID:

134980608

Reduced:

O3C22H30 (1)

Stoich.:

A3B22C30 (1)

Weight, g/mol:

480.396731

ΔHf, kcal/mol:

-84.72

Dipole, Da:

1.59

IP(EA), eV:

 -8.37(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(3S,10R,13R,14R,17R)-17-[(E,2R,5R)-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-yl]oxy]oxane

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1OC)OC)C2=C(C(CC=C2)(C)C)C=C)OC

DOS

IR

Vibrations