Geometry & MOs

Info

ID:

398224

PubChem CID:

135032352

Reduced:

O3H18C19 (2)

Stoich.:

A3B18C19 (2)

Weight, g/mol:

588.251189

ΔHf, kcal/mol:

-104.18

Dipole, Da:

1.13

IP(EA), eV:

 -9.1(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(E)-3-[(2S,3S,4R,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]prop-2-enyl]chromen-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@@H](O2)C/C=C/C3=COC4=CC=CC=C4C3=O)OCC5=CC=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations