Geometry & MOs

Info

ID:

409346

PubChem CID:

135082126

Reduced:

AsS2H4C6 (1)

Stoich.:

AB2C4D6 (1)

Weight, g/mol:

260.87925

ΔHf, kcal/mol:

42.9

Dipole, Da:

0.54

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760796

Charge, e:

 1

Chem-info

IUPAC name:

1,3,2-benzodithiastibol-3-ium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)S[As]=[S+]2

DOS

IR

Vibrations