Geometry & MOs

Info

ID:	122067
PubChem CID:	50792724
Reduced:	BrF2N3O3H16C24 (1)
Stoich.:	AB2C3D3E16F24 (1)
Weight, g/mol:	328.088164
ΔH_f, kcal/mol:	-83.46
Dipole, Da:	3.09
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dimethylphenyl)sulfonyl-7-methyl-1H-1,8-naphthyridin-4-one

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)Br)OC3=C1C(=O)N(N3CC(=O)NC4=CC(=C(C=C4)F)F)C5=CC=CC=C5

DOS

IR

Vibrations