Geometry & MOs

Info

ID:

175869

PubChem CID:

75962972

Reduced:

O16C135H250 (1)

Stoich.:

A16B135C250 (1)

Weight, g/mol:

2174.920112

ΔHf, kcal/mol:

-1186.47

Dipole, Da:

3.98

IP(EA), eV:

 -9.92(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3-hexadecanoyloxy-5-hydroxy-4-(3-hydroxy-2,4,6-trimethyltetracosanoyl)oxy-6-(2,4,6-trimethyldocos-2-enoyloxymethyl)oxan-2-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(2,4,6-trimethylpentacos-2-enoyloxy)oxan-3-yl] 2,4,6-trimethylhexacos-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(=CC(C)CC(C)CCCCCCCCCCCCCCCC)C)O)OC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)COC(=O)C(=CC(C)CC(C)CCCCCCCCCCCCCCCCCC)C)O

DOS

IR

Vibrations