Geometry & MOs

Info

ID:

141789

PubChem CID:

52928178

Reduced:

PO13C43H79 (1)

Stoich.:

AB13C43D79 (1)

Weight, g/mol:

954.52583

ΔHf, kcal/mol:

-763.98

Dipole, Da:

4.74

IP(EA), eV:

 -9.46(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC1C([C@@H](C(C(C1O)O)O)O)O

DOS

IR

Vibrations