Geometry & MOs

Info

ID:	143981
PubChem CID:	53291422
Reduced:	SN3O3H16C20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	483.178078
ΔH_f, kcal/mol:	14.37
Dipole, Da:	6.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.072400
Charge, e:	1

Chem-info

IUPAC name:

3-[methyl-[(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)methyl]amino]-1-(4-phenyldiazenylphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[N+]2=C(C(=O)ON2)SCC(=O)NC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations