Geometry & MOs

Info

ID:	122080
PubChem CID:	50793121
Reduced:	SN3O5H21C25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	495.101955
ΔH_f, kcal/mol:	-110.74
Dipole, Da:	11.84
IP(EA), eV:	-9.36(-1.3)
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-(4-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=O)C(=CN2CC(=O)NC3=CC=CC(=C3)C(=O)C)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations