Geometry & MOs

Info

ID:	401699
PubChem CID:	135052166
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	404.070989
ΔH_f, kcal/mol:	-58.81
Dipole, Da:	7.39
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(4-chlorobenzoyl)-3-ethyltriazol-4-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)C)NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations