Geometry & MOs

Info

ID:	352436
PubChem CID:	127283524
Reduced:	NSO2C9H17 (1)
Stoich.:	ABC2D9E17 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-93.37
Dipole, Da:	4.2
IP(EA), eV:	-8.57(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[2-oxo-2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CCS(=O)CC1

DOS

IR

Vibrations