Geometry & MOs

Info

ID:	16688
PubChem CID:	474741
Reduced:	FN4O4C25H27 (1)
Stoich.:	AB4C4D25E27 (1)
Weight, g/mol:	466.201634
ΔH_f, kcal/mol:	-120.16
Dipole, Da:	13.04
IP(EA), eV:	-9.11(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations