Geometry & MOs

Info

ID:	170061
PubChem CID:	75191132
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-54.59
Dipole, Da:	6.31
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-[(2,3-dioxo-4-prop-2-enylquinoxaline-1,4-diium-1-yl)methyl]-N-[1-(furan-2-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCC(C1=CC=CS1)NC(=O)C2=CC=C(C=C2)C[N+]3=C4C=CC=CC4=[N+](C(=O)C3=O)CC

DOS

IR

Vibrations