Geometry & MOs

Info

ID:	159077
PubChem CID:	57260125
Reduced:	ClNC12H16 (1)
Stoich.:	ABC12D16 (1)
Weight, g/mol:	414.085404
ΔH_f, kcal/mol:	2.08
Dipole, Da:	0.32
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-methyl-3-(methylcarbamothioylsulfamoyl)phenyl]-N-[1-(2H-1,3-thiazol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=CC=CC=C2Cl

DOS

IR

Vibrations