Geometry & MOs

Info

ID:	179462
PubChem CID:	76486086
Reduced:	NSO5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	318.020748
ΔH_f, kcal/mol:	-142.8
Dipole, Da:	1.51
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chloro-2-fluorophenyl)-4-oxo-4aH-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C(N2C(CC2=O)SC1)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations