Geometry & MOs

Info

ID:	437278
PubChem CID:	135221301
Reduced:	LiC3N3S3H5 (1)
Stoich.:	AB3C3D3E5 (1)
Weight, g/mol:	430.94684
ΔH_f, kcal/mol:	26.88
Dipole, Da:	9.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755008
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-1,2,4-triazol-1-yl)-5-(2-methylsulfanylpyridin-1-ium-1-yl)pyridine;iodide

Drug info:

PubChemData

Smile

[Li].C1=C(NN(NC1=S)S)S

DOS

IR

Vibrations