Geometry & MOs

Info

ID:

533

PubChem CID:

2940

Reduced:

OS2C11H15 (1)

Stoich.:

AB2C11D15 (1)

Weight, g/mol:

227.056432

ΔHf, kcal/mol:

-3.27

Dipole, Da:

4.31

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.768241

Charge, e:

 -1

Chem-info

IUPAC name:

8-tricyclo[5.2.1.02,6]decanyloxymethanedithioate

Drug info:

PubChemData

Smile

C1CC2C(C1)C3CC2CC3OC(=S)[S-]

DOS

IR

Vibrations