Geometry & MOs

Info

ID:	178531
PubChem CID:	76342876
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	447.20323
ΔH_f, kcal/mol:	-34.92
Dipole, Da:	6.45
IP(EA), eV:	-9.0(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-6-[4-(4-phenylbutanoyl)piperazine-1-carbonyl]quinoxalin-1-ium-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C(C)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations