Geometry & MOs

Info

ID:	407243
PubChem CID:	135079635
Reduced:	NSO6C24H33 (1)
Stoich.:	ABC6D24E33 (1)
Weight, g/mol:	311.97457
ΔH_f, kcal/mol:	-204.56
Dipole, Da:	5.29
IP(EA), eV:	-9.47(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-bromo-1-oxido-3-oxo-4H-quinoxalin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC#C)(C/C(=C/CCCNS(=O)(=O)C1=CC=C(C=C1)C)/C)C(=O)OCC

DOS

IR

Vibrations