Geometry & MOs

Info

ID:	62580
PubChem CID:	26719893
Reduced:	SO3N4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	460.060818
ΔH_f, kcal/mol:	-24.94
Dipole, Da:	8.18
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-chlorophenyl)methylamino]-3-nitro-N-(3-sulfamoylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations