Geometry & MOs

Info

ID:

380803

PubChem CID:

134971367

Reduced:

O11C49H56 (1)

Stoich.:

A11B49C56 (1)

Weight, g/mol:

818.366613

ΔHf, kcal/mol:

-330.24

Dipole, Da:

3.81

IP(EA), eV:

 -9.27(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methoxy-2-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]-7-phenylmethoxy-6-(phenylmethoxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran

Drug info:

PubChemData

Smile

COC1C(C(C(C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4C(C(C(C(O4)OC)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O

DOS

IR

Vibrations