Geometry & MOs

Info

ID:

175867

PubChem CID:

75962970

Reduced:

O16C137H254 (1)

Stoich.:

A16B137C254 (1)

Weight, g/mol:

2146.888811

ΔHf, kcal/mol:

-1201.67

Dipole, Da:

4.16

IP(EA), eV:

 -10.0(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hexadecanoyloxy-5-hydroxy-2-[4-hydroxy-6-(hydroxymethyl)-5-(3-hydroxy-2,4,6-trimethyltetracosanoyl)oxy-3-(2,4,6-trimethyldocos-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

CCCCCCCCCCCCCCCCCCCCC(C)CC(C)C=C(C)C(=O)OC1C(OC(C(C1O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCC)C)OC2C(C(C(C(O2)COC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCCC)C)OC(=O)CCCCCCCCCCCCCCC)CO

DOS

IR

Vibrations