Geometry & MOs

Info

ID:

175870

PubChem CID:

75963205

Reduced:

O17C137H256 (1)

Stoich.:

A17B137C256 (1)

Weight, g/mol:

2170.925197

ΔHf, kcal/mol:

-1276.38

Dipole, Da:

4.67

IP(EA), eV:

 -10.07(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-hydroxy-6-[4-hydroxy-6-(hydroxymethyl)-5-(2,4,6-trimethyldocos-2-enoyloxy)-3-(2,4,6-trimethylpentacos-2-enoyloxy)oxan-2-yl]oxy-5-octadecanoyloxy-4-(2,4,6-trimethyltetracos-2-enoyloxy)oxan-2-yl]methyl 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)CCCCCCCCCCCCCCCCCCC)C)OC2C(C(C(C(O2)COC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCC)C)O)OC(=O)C(C)C(C(C)CC(C)CCCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCC)CO

DOS

IR

Vibrations