Geometry & MOs

Info

ID:	16685
PubChem CID:	474727
Reduced:	F2N3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	455.165663
ΔH_f, kcal/mol:	-191.86
Dipole, Da:	11.42
IP(EA), eV:	-9.11(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)C4=CC=C(C=C4)F)F)C(=O)O

DOS

IR

Vibrations