Geometry & MOs

Info

ID:

59389

PubChem CID:

24847848

Reduced:

PO35C44H79 (1)

Stoich.:

AB35C44D79 (1)

Weight, g/mol:

357.127289

ΔHf, kcal/mol:

-1564.56

Dipole, Da:

5.54

IP(EA), eV:

 -10.0(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-[[4-[2-(5-ethylpyridin-1-ium-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)OC)O)O)OC4C(C(C(C(O4)CO)OC)O)OCCC(O)OC5C(OC(C(C5O)O)OC)CO)O)O)O)OP(=O)(O)OC6C(OC(C(C6O)O)OC)CO

DOS

IR

Vibrations