Geometry & MOs

Info

ID:

215409

PubChem CID:

85084691

Reduced:

O16C47H66 (1)

Stoich.:

A16B47C66 (1)

Weight, g/mol:

886.708412

ΔHf, kcal/mol:

-753.39

Dipole, Da:

6.41

IP(EA), eV:

 -9.17(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-octadeca-9,12-dienoyloxy-2-(2-tetradecylsulfanylacetyl)oxypropyl] octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CC(CC(=O)C(C(C)(C)OC(=O)C)OC(=O)C)C1C(=O)CC2(C1(CC(C34C2=CCC5C3(C4)CCC(C5(C)C)OC6C(C(C(CO6)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C)C

DOS

IR

Vibrations