Geometry & MOs

Info

ID:	31348
PubChem CID:	855606
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	277.077265
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	5.24
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-ethyl-6-methoxyquinolin-2-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

CCC1=C(N=C2C=C(C=CC2=C1)OC)SCC(=O)N3CCCC3

DOS

IR

Vibrations