Geometry & MOs

Info

ID:	283951
PubChem CID:	104022167
Reduced:	SO3N4C11H12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	252.068097
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	5.92
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

C1C(COC2=CC=CC=C21)C3=NC(=NN3)S(=O)(=O)N

DOS

IR

Vibrations