Geometry & MOs

Info

ID:	174240
PubChem CID:	75744100
Reduced:	ClSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	443.108582
ΔH_f, kcal/mol:	-110.79
Dipole, Da:	3.87
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methylsulfonylphenyl)ethylideneamino]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC1C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)C)C(=O)C

DOS

IR

Vibrations