Geometry & MOs

Info

ID:	125124
PubChem CID:	50910473
Reduced:	NiSN3O4C8H11 (1)
Stoich.:	ABC3D4E8F11 (1)
Weight, g/mol:	644.12276
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	4.35
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	6

Chem-info

IUPAC name:

acetonitrile;methyl (1Z)-1-[hydroxy(phenyl)methylidene]-2-oxoimidazolidine-1,3-diium-4-carboxylate;rhodium(2+)

Drug info:

PubChemData

Smile

C1=NN=C(S1)N(CCC(=O)O)CCC(=O)O.[Ni]

DOS

IR

Vibrations