Geometry & MOs

Info

ID:	65119
PubChem CID:	29204495
Reduced:	ClSO3N4C19H27 (1)
Stoich.:	ABC3D4E19F27 (1)
Weight, g/mol:	474.14924
ΔH_f, kcal/mol:	-97.05
Dipole, Da:	9.37
IP(EA), eV:	-9.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[3-(diethylsulfamoyl)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(CC)CC)Cl

DOS

IR

Vibrations