Geometry & MOs

Info

ID:	405066
PubChem CID:	135072387
Reduced:	OH12C14 (2)
Stoich.:	AB12C14 (2)
Weight, g/mol:	462.044106
ΔH_f, kcal/mol:	46.22
Dipole, Da:	2.12
IP(EA), eV:	-8.76(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(benzenesulfonyl)indol-3-yl]-4-chloro-1-phenylpyrrole-2,5-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CCCC(C#CC2=CC=CC=C2)(C3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations