Geometry & MOs

Info

ID:	65113
PubChem CID:	29204486
Reduced:	SCl2O3N4C22H24 (1)
Stoich.:	AB2C3D4E22F24 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-63.97
Dipole, Da:	4.56
IP(EA), eV:	-9.07(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)Cl

DOS

IR

Vibrations