Geometry & MOs

Info

ID:

222922

PubChem CID:

85333168

Reduced:

O6N9C29H59 (1)

Stoich.:

A6B9C29D59 (1)

Weight, g/mol:

631.423674

ΔHf, kcal/mol:

-331.3

Dipole, Da:

6.05

IP(EA), eV:

 -9.43(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[11-[4-[8-[butyl(methyl)amino]-8-oxooctoxy]phenyl]-17-hydroxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCCCN)N

DOS

IR

Vibrations