Geometry & MOs

Info

ID:	138282
PubChem CID:	52340115
Reduced:	ClNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	487.171235
ΔH_f, kcal/mol:	-135.37
Dipole, Da:	1.67
IP(EA), eV:	-8.86(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-1-cyclopropyl-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-oxoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OC)NC(=O)COC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations