Geometry & MOs

Info

ID:	31338
PubChem CID:	855594
Reduced:	OSN3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	50.8
Dipole, Da:	7.48
IP(EA), eV:	-8.88(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC2=CC(=C(N=C2C=C1)SCC(=O)NC3=CC=CC=C3)C#N

DOS

IR

Vibrations