Geometry & MOs

Info

ID:	280976
PubChem CID:	103852290
Reduced:	BrClNOSC12H13 (1)
Stoich.:	ABCDEF12G13 (1)
Weight, g/mol:	290.108899
ΔH_f, kcal/mol:	-23.84
Dipole, Da:	3.6
IP(EA), eV:	-8.9(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-oxo-N-(thiolan-3-yl)-3,4-dihydro-1H-quinoline-6-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCSC1)C(=O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations