Geometry & MOs

Info

ID:	243179
PubChem CID:	99216560
Reduced:	ClSO2N4C21H21 (1)
Stoich.:	ABC2D4E21F21 (1)
Weight, g/mol:	451.131425
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	1.66
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)sulfamoyl]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NC(=O)[C@H]2CSCN2C(=O)C3=CNC4=CC=CC=C43)Cl

DOS

IR

Vibrations