Geometry & MOs

Info

ID:	245573
PubChem CID:	99453929
Reduced:	FS2O3N4C19H21 (1)
Stoich.:	AB2C3D4E19F21 (1)
Weight, g/mol:	416.13184
ΔH_f, kcal/mol:	-72.27
Dipole, Da:	8.28
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-5-methylpyrazol-3-yl]-3-(propan-2-ylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CCCN(C)S(=O)(=O)C2=CC=CS2)C3=CC=CC=C3F

DOS

IR

Vibrations