Geometry & MOs

Info

ID:	145293
PubChem CID:	53493779
Reduced:	F3N4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	561.150048
ΔH_f, kcal/mol:	-97.0
Dipole, Da:	6.55
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-[(4-tert-butylphenyl)sulfonylamino]pyrrolidin-1-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCCC1C2=CNC3=C2C=CC(=C3)NC4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations