Geometry & MOs

Info

ID:

227279

PubChem CID:

87561014

Reduced:

ClKSH3C4O4 (1)

Stoich.:

ABCD3E4F4 (1)

Weight, g/mol:

103.004119

ΔHf, kcal/mol:

-191.09

Dipole, Da:

7.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759535

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=COC(=C1S(=O)(=O)O)Cl.[K]

DOS

IR

Vibrations