Geometry & MOs

Info

ID:

175868

PubChem CID:

75962971

Reduced:

O17C135H252 (1)

Stoich.:

A17B135C252 (1)

Weight, g/mol:

2128.878247

ΔHf, kcal/mol:

-1253.12

Dipole, Da:

3.29

IP(EA), eV:

 -10.13(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(C(OC(C1OC(=O)CCCCCCCCCCCCCCC)OC2C(C(C(C(O2)CO)OC(=O)C(C)C(C(C)CC(C)CCCCCCCCCCCCCCCCCC)O)O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCC)C)COC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)O

DOS

IR

Vibrations