Geometry & MOs

Info

ID:

409570

PubChem CID:

135082352

Reduced:

S2C6H7 (1)

Stoich.:

A2B6C7 (1)

Weight, g/mol:

162.013936

ΔHf, kcal/mol:

15.71

Dipole, Da:

3.08

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.778390

Charge, e:

 0

Chem-info

IUPAC name:

isothiochromenylium-4-olate

Drug info:

PubChemData

Smile

C1CC2=C(C1)S[S+]=C2

DOS

IR

Vibrations