Geometry & MOs

Info

ID:	29987
PubChem CID:	838755
Reduced:	OCl2N2H14C17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	295.043378
ΔH_f, kcal/mol:	12.79
Dipole, Da:	4.43
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(8-chloro-3-ethyl-2-methylquinolin-4-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC(=N1)C2=CC=CC=C2)C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations