Geometry & MOs

Info

ID:	246715
PubChem CID:	103064725
Reduced:	OSN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	2.42
IP(EA), eV:	-8.66(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylamino)-N-(thiolan-3-yl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C(=N1)C(=O)NC2CCSC2)NC

DOS

IR

Vibrations