Geometry & MOs

Info

ID:	16203
PubChem CID:	461406
Reduced:	FSO3N4H23C24 (1)
Stoich.:	ABC3D4E23F24 (1)
Weight, g/mol:	466.14749
ΔH_f, kcal/mol:	-86.54
Dipole, Da:	13.2
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC4=NC5=CC=CC=C5S4)F)C(=O)O

DOS

IR

Vibrations