Geometry & MOs

Info

ID:	43018
PubChem CID:	10317791
Reduced:	SCl2N2O3H12C16 (1)
Stoich.:	AB2C2D3E12F16 (1)
Weight, g/mol:	383.128134
ΔH_f, kcal/mol:	-75.12
Dipole, Da:	10.35
IP(EA), eV:	-8.63(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-1-(3-hydroxyphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)(=O)NC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations