Geometry & MOs

Info

ID:

219270

PubChem CID:

85098336

Reduced:

PS4O6C31H41 (1)

Stoich.:

AB4C6D31E41 (1)

Weight, g/mol:

668.986027

ΔHf, kcal/mol:

-223.28

Dipole, Da:

6.59

IP(EA), eV:

 -8.02(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

bis[2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)ethyl] 2-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanedioate

Drug info:

PubChemData

Smile

CCCC[P+](CCCC)(CCCC)C1(SC(=C(S1)C(=O)OC)C(=O)OC)C(=C(C2=CC=CS2)[O-])CC(=O)C3=CC=CS3

DOS

IR

Vibrations