Geometry & MOs

Info

ID:	192490
PubChem CID:	78275091
Reduced:	SO2F3N3H15C20 (1)
Stoich.:	AB2C3D3E15F20 (1)
Weight, g/mol:	328.075587
ΔH_f, kcal/mol:	-146.77
Dipole, Da:	3.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.157411
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-2,3-dioxo-N-(thiophen-2-ylmethyl)quinoxalin-1-ium-6-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C2C(=CC(=NC2=[N+](C1=O)CC3=CC=CC=C3)C4=CC=CS4)C(F)(F)F

DOS

IR

Vibrations