Geometry & MOs

Info

ID:	62111
PubChem CID:	26717607
Reduced:	SCl2N2O3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-95.72
Dipole, Da:	3.3
IP(EA), eV:	-9.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations