Geometry & MOs

Info

ID:	44232
PubChem CID:	10502109
Reduced:	SN2O7H18C19 (1)
Stoich.:	AB2C7D18E19 (1)
Weight, g/mol:	418.144119
ΔH_f, kcal/mol:	-239.18
Dipole, Da:	2.76
IP(EA), eV:	-9.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-oxo-7-piperazin-1-yl-1-quinolin-5-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCC(=O)OCN2C(=O)C3=CC=CC=C3S2(=O)=O

DOS

IR

Vibrations