Geometry & MOs

Info

ID:

14731

PubChem CID:

419184

Reduced:

N2S2C9H9 (1)

Stoich.:

A2B2C9D9 (1)

Weight, g/mol:

209.020716

ΔHf, kcal/mol:

69.99

Dipole, Da:

4.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765919

Charge, e:

 1

Chem-info

IUPAC name:

5-methylsulfanyl-3-phenyl-1,3,4-thiadiazol-3-ium

Drug info:

PubChemData

Smile

CSC1=N[N+](=CS1)C2=CC=CC=C2

DOS

IR

Vibrations