Geometry & MOs

Info

ID:

215355

PubChem CID:

85084587

Reduced:

O13C15H26 (2)

Stoich.:

A13B15C26 (2)

Weight, g/mol:

828.491943

ΔHf, kcal/mol:

-1163.33

Dipole, Da:

5.72

IP(EA), eV:

 -10.37(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3-chloro-2,4,5,6-tetrahydroxycyclohexyl)oxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)OC2C(C(OC(C2O)OC3C(C(OC(C3OC4C(C(C(C(O4)CO)O)O)O)OC5(C(C(C(O5)CO)O)O)CO)CO)O)CO)O)O)O)O)O

DOS

IR

Vibrations