Geometry & MOs

Info

ID:

215603

PubChem CID:

85084972

Reduced:

O15C22H37 (2)

Stoich.:

A15B22C37 (2)

Weight, g/mol:

1082.555397

ΔHf, kcal/mol:

-1333.35

Dipole, Da:

4.88

IP(EA), eV:

 -10.18(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-(2-methyl-5-oxo-2H-furan-4-yl)-9-[5-[7-[5-[1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxyundecyl]oxolan-2-yl]-1,3-dioxepan-4-yl]oxolan-2-yl]nonan-2-yl] 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

C=CCCCCCCOC1C(C2C(OC1OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)CO)O

DOS

IR

Vibrations