Geometry & MOs

Info

ID:	122081
PubChem CID:	50793122
Reduced:	ClSN3O4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	485.061233
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	6.9
IP(EA), eV:	-8.98(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(2-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C3=C2N=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations