Geometry & MOs

Info

ID:

186906

PubChem CID:

77503627

Reduced:

O3N7H29C30 (1)

Stoich.:

A3B7C29D30 (1)

Weight, g/mol:

557.386895

ΔHf, kcal/mol:

90.65

Dipole, Da:

4.01

IP(EA), eV:

 -8.95(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]phenyl]pyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)NNN2)C3=CC=CC=C3OCC4=CC=CC=C4)C(=O)OCC5=CC=C(C=C5)CN6C=CC=N6

DOS

IR

Vibrations