Geometry & MOs

Info

ID:

191392

PubChem CID:

78141993

Reduced:

O8C25H36 (2)

Stoich.:

A8B25C36 (2)

Weight, g/mol:

842.387742

ΔHf, kcal/mol:

-653.66

Dipole, Da:

5.45

IP(EA), eV:

 -9.25(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[4-benzoyloxy-5-hydroxy-6-octoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(phenylmethoxymethyl)oxan-4-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCCCOC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C(C(O3)COCC4=CC=CC=C4)OC5C(C(C(C(O5)COCC6=CC=CC=C6)O)OC)O)OC)O)O)OC

DOS

IR

Vibrations