Geometry & MOs

Info

ID:	122073
PubChem CID:	50793106
Reduced:	ClSN3O4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	404.119464
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	10.28
IP(EA), eV:	-9.1(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-7-methyl-1-[(2-methylphenyl)methyl]-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC=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