Geometry & MOs

Info

ID:	68676
PubChem CID:	46508880
Reduced:	SN2O4H20C23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	424.120526
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	5.22
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-(ethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=NC3=CC=CC=C3C4=CC=CC=C42

DOS

IR

Vibrations