Geometry & MOs

Info

ID:	401378
PubChem CID:	135051095
Reduced:	NNaO2S2C6H6 (1)
Stoich.:	ABC2D2E6F6 (1)
Weight, g/mol:	255.889331
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	8.02
IP(EA), eV:	-8.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipotassium;[(Z)-N'-nitrocarbamimidoyl]iminomethanedithiolate

Drug info:

PubChemData

Smile

COC(=O)/C(=C(/[S-])\SC)/C#N.[Na+]

DOS

IR

Vibrations