Geometry & MOs

Info

ID:	283955
PubChem CID:	104022469
Reduced:	OSN2C5H7 (2)
Stoich.:	ABC2D5E7 (2)
Weight, g/mol:	286.029125
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	3.73
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-chloro-4-methylphenyl)-4-methyl-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1S(=O)(=O)N)CCCC2=CC=CS2

DOS

IR

Vibrations