Geometry & MOs

Info

ID:

327938

PubChem CID:

126691435

Reduced:

NO12C50H77 (1)

Stoich.:

AB12C50D77 (1)

Weight, g/mol:

724.48905

ΔHf, kcal/mol:

-548.97

Dipole, Da:

6.35

IP(EA), eV:

 -8.96(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(2,3-dihydroxy-3-methylbutoxy)-methylperoxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2CC/C(=C\C=C\C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)C(C)C[C@H]4CC[C@H]([C@@H](C4)OC)O)C)/C)O)OC)C)C)/C

DOS

IR

Vibrations