Geometry & MOs

Info

ID:	13274
PubChem CID:	224792
Reduced:	NSO3H11C12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	249.045964
ΔH_f, kcal/mol:	-71.84
Dipole, Da:	6.29
IP(EA), eV:	-9.04(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methoxyquinolin-4-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)SCC(=O)O

DOS

IR

Vibrations