Geometry & MOs

Info

ID:	140756
PubChem CID:	52754167
Reduced:	N3O3C25H30 (1)
Stoich.:	A3B3C25D30 (1)
Weight, g/mol:	466.086639
ΔH_f, kcal/mol:	-34.33
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994561
Charge, e:	0

Chem-info

IUPAC name:

3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide

Drug info:

PubChemData

Smile

CC[NH+](C)CC1=CC=CC(=C1)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3

DOS

IR

Vibrations