Geometry & MOs

Info

ID:

397867

PubChem CID:

135030860

Reduced:

SeO7C38H39 (1)

Stoich.:

AB7C38D39 (1)

Weight, g/mol:

580.137873

ΔHf, kcal/mol:

-171.56

Dipole, Da:

2.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.758802

Charge, e:

 0

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] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC(=[O+][C@@H]2C(C([C@H]3C(O2)COC(O3)C4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC1C[Se]C7=CC=CC=C7

DOS

IR

Vibrations