Geometry & MOs

Info

ID:

215449

PubChem CID:

85084748

Reduced:

O16C51H56 (1)

Stoich.:

A16B51C56 (1)

Weight, g/mol:

924.408477

ΔHf, kcal/mol:

-610.37

Dipole, Da:

3.91

IP(EA), eV:

 -9.98(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,3-dihydroxy-4,5-bis(phenylmethoxy)-6-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexyl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCOC1C(C(C(CO1)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C

DOS

IR

Vibrations