Geometry & MOs

Info

ID:	122082
PubChem CID:	50793123
Reduced:	ClFSN3O4H17C23 (1)
Stoich.:	ABCD3E4F17G23 (1)
Weight, g/mol:	404.119464
ΔH_f, kcal/mol:	-126.41
Dipole, Da:	9.57
IP(EA), eV:	-9.41(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC(=O)NC3=CC=CC=C3F)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations