Geometry & MOs

Info

ID:

220689

PubChem CID:

85202809

Reduced:

O18C31H38 (1)

Stoich.:

A18B31C38 (1)

Weight, g/mol:

702.286951

ΔHf, kcal/mol:

-722.56

Dipole, Da:

8.14

IP(EA), eV:

 -9.43(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methyl-8-phenylmethoxy-6-(3-phenylmethoxypropyl)-3-triethylsilyloxy-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]methyl trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C=CC1C2CC(OC(=O)C2=COC1OC3C(C(C(C(O3)CO)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)O

DOS

IR

Vibrations