Geometry & MOs

Info

ID:	178002
PubChem CID:	76261820
Reduced:	SO3N4H16C18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	445.130757
ΔH_f, kcal/mol:	70.45
Dipole, Da:	7.79
IP(EA), eV:	-8.99(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-ethyl-4-[(5-formyl-2-methoxyphenyl)methyl]-N,N-dimethyl-2,3-dioxoquinoxaline-1,4-diium-6-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC2=NC(=NN2)SCCOC3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations