Geometry & MOs

Info

ID:	338431
PubChem CID:	127259123
Reduced:	ClSO3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	329.027728
ΔH_f, kcal/mol:	-98.38
Dipole, Da:	4.84
IP(EA), eV:	-8.83(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chlorophenyl)sulfanylquinolin-8-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCS(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations