Geometry & MOs

Info

ID:	246698
PubChem CID:	103064658
Reduced:	OSN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	273.093583
ΔH_f, kcal/mol:	-23.41
Dipole, Da:	5.8
IP(EA), eV:	-8.63(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=CC=CC(=N1)C(=O)NC2CCSC2

DOS

IR

Vibrations