Geometry & MOs

Info

ID:	176003
PubChem CID:	75981034
Reduced:	NF2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	436.190617
ΔH_f, kcal/mol:	-176.49
Dipole, Da:	3.48
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1-ethylpiperidin-1-ium-3-yl) 6-(diethylsulfamoyl)-2-oxo-4aH-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCON=CC2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations