Geometry & MOs

Info

ID:

175871

PubChem CID:

75963502

Reduced:

O8C69H128 (2)

Stoich.:

A8B69C128 (2)

Weight, g/mol:

2230.982712

ΔHf, kcal/mol:

-1193.45

Dipole, Da:

9.98

IP(EA), eV:

 -9.87(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)CO)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCC)C)O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)O

DOS

IR

Vibrations