Geometry & MOs

Info

ID:

214806

PubChem CID:

85083673

Reduced:

O11C32H52 (1)

Stoich.:

A11B32C52 (1)

Weight, g/mol:

612.221546

ΔHf, kcal/mol:

-554.31

Dipole, Da:

2.62

IP(EA), eV:

 -9.63(0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(4-methylphenyl)sulfonyloxy-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6(C5(C(C(C(C6OC7C(C(C(CO7)O)O)O)O)O)O)C)O)C)C)OC1

DOS

IR

Vibrations