Geometry & MOs

Info

ID:

175866

PubChem CID:

75962886

Reduced:

O17C139H260 (1)

Stoich.:

A17B139C260 (1)

Weight, g/mol:

2156.909547

ΔHf, kcal/mol:

-1283.37

Dipole, Da:

7.4

IP(EA), eV:

 -9.96(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(C(C(OC1OC2C(C(C(C(O2)COC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCCC)C)O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCC)CO)OC(=O)C(C)C(C(C)CC(C)CCCCCCCCCCCCCCCCCC)O)O

DOS

IR

Vibrations