Geometry & MOs

Info

ID:	28643
PubChem CID:	828746
Reduced:	SO3N4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	266.083747
ΔH_f, kcal/mol:	-54.69
Dipole, Da:	3.97
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-5-(4-methylphenyl)-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1C(=NC(=N1)C2=CC=C(C=C2)OC)N

DOS

IR

Vibrations