Geometry & MOs

Info

ID:

214641

PubChem CID:

85083329

Reduced:

N4O7C30H44 (1)

Stoich.:

A4B7C30D44 (1)

Weight, g/mol:

564.298808

ΔHf, kcal/mol:

-359.79

Dipole, Da:

3.15

IP(EA), eV:

 -9.33(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-2-[5-(3-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CC1CC(=O)NC2C1CCC(C2)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CC(C)C)NC(=O)CCCC(=O)O

DOS

IR

Vibrations