Geometry & MOs

Info

ID:	172766
PubChem CID:	75549489
Reduced:	OS2F3N4H15C17 (1)
Stoich.:	AB2C3D4E15F17 (1)
Weight, g/mol:	454.185235
ΔH_f, kcal/mol:	-97.79
Dipole, Da:	2.48
IP(EA), eV:	-8.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

ethyl 1-[7-(furan-2-carbonylamino)-1,4-dimethyl-2,3-dioxoquinoxaline-1,4-diium-6-yl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1C(NN2C1C(=O)NN=C2SCC3=CC(=CC=C3)C(F)(F)F)C4=CC=CS4

DOS

IR

Vibrations