Geometry & MOs

Info

ID:	215343
PubChem CID:	85084570
Reduced:	S2O25C26H46 (1)
Stoich.:	A2B25C26D46 (1)
Weight, g/mol:	822.673741
ΔH_f, kcal/mol:	-1107.17
Dipole, Da:	6.14
IP(EA), eV:	-10.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hexadecanoyloxy-3-hexadeca-4,7,10,13-tetraenoyloxypropyl) octadeca-9,12-dienoate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)OS(=O)(=O)C

DOS

IR

Vibrations