Geometry & MOs

Info

ID:

13862

PubChem CID:

399435

Reduced:

S2H7C9 (1)

Stoich.:

A2B7C9 (1)

Weight, g/mol:

178.998918

ΔHf, kcal/mol:

55.01

Dipole, Da:

1.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.956386

Charge, e:

 1

Chem-info

IUPAC name:

4-phenyldithiol-2-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CS[S+]=C2

DOS

IR

Vibrations