Geometry & MOs

Info

ID:	136753
PubChem CID:	52094542
Reduced:	SF3N3O3H16C20 (1)
Stoich.:	AB3C3D3E16F20 (1)
Weight, g/mol:	346.027583
ΔH_f, kcal/mol:	-182.93
Dipole, Da:	4.54
IP(EA), eV:	-9.57(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-N-(7-chloroquinolin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C4C=C(C=CC4=NC=C3)C(F)(F)F

DOS

IR

Vibrations