Geometry & MOs

Info

ID:

177176

PubChem CID:

76143772

Reduced:

FO17H49C61 (1)

Stoich.:

AB17C49D61 (1)

Weight, g/mol:

1105.443483

ΔHf, kcal/mol:

-555.84

Dipole, Da:

6.5

IP(EA), eV:

 -9.85(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3,4,5-tris(phenylmethoxy)-6-[[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]sulfanyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)OCC3C(C(C(C(O3)F)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

DOS

IR

Vibrations