Geometry & MOs

Info

ID:	171610
PubChem CID:	75404110
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-71.05
Dipole, Da:	10.17
IP(EA), eV:	-9.65(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-(methylamino)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCOC1=NC=C(C=C1)CNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations