Geometry & MOs

Info

ID:	270021
PubChem CID:	103622347
Reduced:	ClSO2N4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	310.073576
ΔH_f, kcal/mol:	-27.69
Dipole, Da:	8.93
IP(EA), eV:	-10.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfamoyl]benzoic acid

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNS(=O)(=O)C2=CC=C(C=C2)CCCl

DOS

IR

Vibrations