Geometry & MOs

Info

ID:	172771
PubChem CID:	75549873
Reduced:	SO3N4C21H24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	456.156433
ΔH_f, kcal/mol:	-72.27
Dipole, Da:	11.62
IP(EA), eV:	-8.3(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-chloro-N-(1,4-dimethyl-2,3-dioxo-7-piperidin-1-ylquinoxaline-1,4-diium-6-yl)-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)NC2=CC3=[N+](C(=O)C(=O)[N+](=C3C=C2N4CCCCC4)C)C

DOS

IR

Vibrations