Geometry & MOs

Info

ID:

218948

PubChem CID:

85090229

Reduced:

N2O3C35H38 (1)

Stoich.:

A2B3C35D38 (1)

Weight, g/mol:

534.313395

ΔHf, kcal/mol:

-66.19

Dipole, Da:

3.17

IP(EA), eV:

 -8.0(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[2-(4-tert-butylphenyl)ethynyl]-17-hydroxy-11-(3-methoxyphenyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)C5CC(=NN5C6=CC=CC=C6)C7=CC=CC=C7)O)C

DOS

IR

Vibrations