Geometry & MOs

Info

ID:

218677

PubChem CID:

85089796

Reduced:

SN2O5C27H30 (1)

Stoich.:

AB2C5D27E30 (1)

Weight, g/mol:

494.24571

ΔHf, kcal/mol:

-159.47

Dipole, Da:

4.25

IP(EA), eV:

 -8.67(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-hydroxy-17-[2-(4-hydroxyphenyl)ethynyl]-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(C)(C)OC(=O)C1C(CCC2N1C(=O)C2N3C(COC3=O)C4=CC=CC=C4)SC5=CC=CC=C5

DOS

IR

Vibrations