Geometry & MOs

Info

ID:	272934
PubChem CID:	103768137
Reduced:	SO2N4C14H16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	277.063346
ΔH_f, kcal/mol:	-3.18
Dipole, Da:	4.08
IP(EA), eV:	-8.97(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-2-methyl-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1)NS(=O)(=O)C2=C(C=C(C=C2)C#N)C

DOS

IR

Vibrations