Geometry & MOs

Info

ID:

215382

PubChem CID:

85084648

Reduced:

O17C43H74 (1)

Stoich.:

A17B43C74 (1)

Weight, g/mol:

862.471472

ΔHf, kcal/mol:

-842.76

Dipole, Da:

2.22

IP(EA), eV:

 -9.8(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)O)O)C)C)O)OC)COCC6C(C(C(C(O6)COCC7C(C(C(C(O7)CO)O)O)O)O)O)O

DOS

IR

Vibrations