Geometry & MOs

Info

ID:	62116
PubChem CID:	26717615
Reduced:	SN3O5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	419.10704
ΔH_f, kcal/mol:	-110.06
Dipole, Da:	5.45
IP(EA), eV:	-8.76(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CCCCCNC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations