Geometry & MOs

Info

ID:

175865

PubChem CID:

75962181

Reduced:

PO8C39H75 (1)

Stoich.:

AB8C39D75 (1)

Weight, g/mol:

2202.951412

ΔHf, kcal/mol:

-562.84

Dipole, Da:

3.18

IP(EA), eV:

 -9.59(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[3-hexadecanoyloxy-5-hydroxy-6-(2,4,6-trimethylpentacos-2-enoyloxymethyl)-4-(2,4,6-trimethyltetracos-2-enoyloxy)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-(3-hydroxy-2,4,6-trimethyltetracosanoyl)oxyoxan-3-yl] 2,4,6-trimethylhexacos-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)O

DOS

IR

Vibrations