Geometry & MOs

Info

ID:	16689
PubChem CID:	474743
Reduced:	BrFO4N5C23H23 (1)
Stoich.:	ABC4D5E23F23 (1)
Weight, g/mol:	531.09175
ΔH_f, kcal/mol:	-98.65
Dipole, Da:	9.45
IP(EA), eV:	-9.35(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[2-(4-bromophenyl)-2-hydroxyiminoethyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(N=C21)N3CCN(CC3)CC(=NO)C4=CC=C(C=C4)Br)F)C(=O)O

DOS

IR

Vibrations