Geometry & MOs

Info

ID:	125109
PubChem CID:	50910177
Reduced:	NiSN4C10H14 (1)
Stoich.:	ABC4D10E14 (1)
Weight, g/mol:	340.093299
ΔH_f, kcal/mol:	131.33
Dipole, Da:	5.49
IP(EA), eV:	-7.47(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

[3-[2-[(2-acetyl-3-oxoniumylidenebutylidene)amino]ethyliminomethyl]-4-oxopentan-2-ylidene]oxidanium;nickel

Drug info:

PubChemData

Smile

CC(=NNC(=S)N(C)C)C1=CC=CC=N1.[Ni+2]

DOS

IR

Vibrations