Geometry & MOs

Info

ID:	146813
PubChem CID:	53754125
Reduced:	ClNO2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	489.182575
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	5.36
IP(EA), eV:	-8.83(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-cyclopropyl-7-[3-(1,3-dioxo-2H-indol-1-ium-2-yl)cyclopentyl]-6-fluoro-4-oxoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CC1=CC=CC=C1Cl)NC[C@@H](C2=CC=CC=C2OC)O

DOS

IR

Vibrations