Geometry & MOs

Info

ID:	156564
PubChem CID:	56371172
Reduced:	ClOS2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	459.139882
ΔH_f, kcal/mol:	29.31
Dipole, Da:	5.72
IP(EA), eV:	-8.66(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

DOS

IR

Vibrations