Geometry & MOs

Info

ID:

397866

PubChem CID:

135030859

Reduced:

O7C32H34 (1)

Stoich.:

A7B32C34 (1)

Weight, g/mol:

687.1861

ΔHf, kcal/mol:

-207.14

Dipole, Da:

3.23

IP(EA), eV:

 -9.27(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(6R,8aR)-2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]-[5-(phenylselanylmethyl)oxolan-2-ylidene]oxidanium

Drug info:

PubChemData

Smile

C=CCCC(=O)O[C@@H]1C(C([C@H]2C(O1)COC(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations