Geometry & MOs

Info

ID:

231364

PubChem CID:

87573556

Reduced:

PN3C12H25 (1)

Stoich.:

AB3C12D25 (1)

Weight, g/mol:

321.895187

ΔHf, kcal/mol:

25.19

Dipole, Da:

11.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.762819

Charge, e:

 0

Chem-info

IUPAC name:

dipotassium;2-sulfobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCCC[P+](CC)(CC)CC.C(#N)NC#N

DOS

IR

Vibrations