Geometry & MOs

Info

ID:

45174

PubChem CID:

10508746

Reduced:

O12C37H44 (1)

Stoich.:

A12B37C44 (1)

Weight, g/mol:

680.334918

ΔHf, kcal/mol:

-413.76

Dipole, Da:

8.14

IP(EA), eV:

 -8.69(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (E)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxyhex-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@@H]([C@@H](CO)OC2=C(C=C(C=C2)[C@@H]([C@@H](CO)OC3=C(C=C(C=C3)C(CCO)O)OC)O)OC)O)OCC4=CC=CC=C4

DOS

IR

Vibrations