Geometry & MOs

Info

ID:	77757
PubChem CID:	49658886
Reduced:	FO3N4H21C25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	444.159769
ΔH_f, kcal/mol:	-91.9
Dipole, Da:	7.72
IP(EA), eV:	-8.48(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-fluoroanilino)-2-oxoethyl]-7-methyl-N-(3-methylphenyl)-4-oxo-1,8-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2=CN(C3=C(C2=O)C=CC(=N3)C)CC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations