Geometry & MOs

Info

ID:	207202
PubChem CID:	80360983
Reduced:	OCl2N5H9C10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	266.047361
ΔH_f, kcal/mol:	43.12
Dipole, Da:	4.72
IP(EA), eV:	-9.62(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfonylphenyl)-1H-1,2,4-triazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)CCNC(=O)C2=NNN=N2

DOS

IR

Vibrations