Geometry & MOs

Info

ID:	162382
PubChem CID:	57394505
Reduced:	ClFN3O6H21C25 (1)
Stoich.:	ABC3D6E21F25 (1)
Weight, g/mol:	501.056148
ΔH_f, kcal/mol:	-206.02
Dipole, Da:	10.02
IP(EA), eV:	-8.25(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylsulfonylphenyl)-4,6-dioxo-5H-1,5-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CN(C3=C(C2=O)NC(=O)C=C3)CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations