Geometry & MOs

Info

ID:	67571
PubChem CID:	46506742
Reduced:	ClO2S2N6C27H27 (1)
Stoich.:	AB2C2D6E27F27 (1)
Weight, g/mol:	554.96162
ΔH_f, kcal/mol:	63.82
Dipole, Da:	8.84
IP(EA), eV:	-9.04(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(3-bromophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N=NN4C5=C3SC=C5)S(=O)(=O)C6=CC=C(C=C6)C(C)C

DOS

IR

Vibrations