Geometry & MOs

Info

ID:	184289
PubChem CID:	77140176
Reduced:	NSO3H29C32 (1)
Stoich.:	ABC3D29E32 (1)
Weight, g/mol:	538.156243
ΔH_f, kcal/mol:	-13.85
Dipole, Da:	3.4
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(3-nitrophenyl)-(5-oxo-4,4-diphenylcyclopenten-1-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CCC(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations