Geometry & MOs

Info

ID:	62582
PubChem CID:	26719895
Reduced:	ClSO3N4H17C19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	493.10091
ΔH_f, kcal/mol:	-19.2
Dipole, Da:	9.64
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-butyl-3-(4-chlorophenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]-N-(3-sulfamoylphenyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1/C=C/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)Cl)C3=CC=CC=C3

DOS

IR

Vibrations