Geometry & MOs

Info

ID:	283936
PubChem CID:	104021707
Reduced:	SO4N5C11H13 (1)
Stoich.:	AB4C5D11E13 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-20.24
Dipole, Da:	8.03
IP(EA), eV:	-10.45(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)N)C2=C(C=CC(=C2)[N+](=O)[O-])C

DOS

IR

Vibrations