Geometry & MOs

Info

ID:

215550

PubChem CID:

85084895

Reduced:

NO6C67H109 (1)

Stoich.:

AB6C67D109 (1)

Weight, g/mol:

1024.612322

ΔHf, kcal/mol:

-375.87

Dipole, Da:

4.92

IP(EA), eV:

 -9.14(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tritert-butyl 1-(4-acetyloxy-5-methyl-3-methylidene-6-phenylhexyl)-6-hydroxy-7-(2-methoxypropan-2-yloxy)-4-(11-phenoxyundecoxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COCC1=CC=CC=C1)C(C(CCCCCCCCCCCCCC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations