Geometry & MOs

Info

ID:

215611

PubChem CID:

85084984

Reduced:

NO12C67H79 (1)

Stoich.:

AB12C67D79 (1)

Weight, g/mol:

1089.732772

ΔHf, kcal/mol:

-395.38

Dipole, Da:

3.59

IP(EA), eV:

 -8.64(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[3-acetyloxy-2-(2-acetyloxytetracosanoylamino)-9-methyloctadeca-4,8,10-trienoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCCCCCCCCCC2C(C(C(C(O2)COCC3=CC=CC=C3)CC4(CC(C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)O)O)OCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O

DOS

IR

Vibrations