Geometry & MOs

Info

ID:	373841
PubChem CID:	131320567
Reduced:	ClSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	221.024356
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	5.81
IP(EA), eV:	-9.22(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methylquinoline-8-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)SC(=C2/C=C/C(=O)O)O

DOS

IR

Vibrations