Geometry & MOs

Info

ID:	246700
PubChem CID:	103064667
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	287.109233
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	7.44
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2CCSC2

DOS

IR

Vibrations