Geometry & MOs

Info

ID:	283935
PubChem CID:	104021702
Reduced:	ISO2N4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	311.068825
ΔH_f, kcal/mol:	10.59
Dipole, Da:	4.06
IP(EA), eV:	-9.79(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-5-(2-methyl-5-nitrophenyl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1S(=O)(=O)N)C2=CC(=CC=C2)I

DOS

IR

Vibrations