Geometry & MOs

Info

ID:	62581
PubChem CID:	26719894
Reduced:	ClSN4O5H17C20 (1)
Stoich.:	ABC4D5E17F20 (1)
Weight, g/mol:	416.070989
ΔH_f, kcal/mol:	-60.96
Dipole, Da:	9.71
IP(EA), eV:	-9.27(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-(3-sulfamoylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N)[N+](=O)[O-])Cl

DOS

IR

Vibrations