Geometry & MOs

Info

ID:

191391

PubChem CID:

78141992

Reduced:

O8C25H36 (2)

Stoich.:

A8B25C36 (2)

Weight, g/mol:

928.482036

ΔHf, kcal/mol:

-648.82

Dipole, Da:

7.34

IP(EA), eV:

 -9.36(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-hydroxy-6-[4-hydroxy-5-methoxy-6-octoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-methoxy-2-(phenylmethoxymethyl)oxan-3-yl]oxy-4-methoxy-6-(phenylmethoxymethyl)oxane-3,5-diol

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)O)OC)OC)O

DOS

IR

Vibrations