Geometry & MOs

Info

ID:	61516
PubChem CID:	26710135
Reduced:	BrClON3H13C17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	418.086639
ΔH_f, kcal/mol:	52.07
Dipole, Da:	6.52
IP(EA), eV:	-9.41(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CN2C(=CC=N2)NC(=O)C3=CC(=CC=C3)Br

DOS

IR

Vibrations