Geometry & MOs

Info

ID:

397529

PubChem CID:

135030344

Reduced:

SO19C76H86 (1)

Stoich.:

AB19C76D86 (1)

Weight, g/mol:

674.360739

ΔHf, kcal/mol:

-636.57

Dipole, Da:

5.68

IP(EA), eV:

 -8.11(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R)-2-(1-adamantyloxy)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane

Drug info:

PubChemData

Smile

C[C@H]1C(C([C@H](C(O1)OC2[C@@H](C(O[C@H](C2OC(=O)C)OCC3=CC=CC=C3S(=O)C(C)C)CO[C@H]4C(C([C@@H](C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OC(=O)C)OCC8=CC=CC=C8)OC(=O)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations