Geometry & MOs

Info

ID:

404732

PubChem CID:

135070110

Reduced:

O17C27H30 (1)

Stoich.:

A17B27C30 (1)

Weight, g/mol:

556.464417

ΔHf, kcal/mol:

-671.9

Dipole, Da:

1.19

IP(EA), eV:

 -9.33(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z,10E,12E,14E,16E,18Z,20Z,22Z,24Z,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,20,22,24,26,30-undecaen-2-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O[C@H]4C(C([C@@H](C(O4)CO)O[C@H]5C(C([C@H](C(O5)CO)O)O)O)O)O

DOS

IR

Vibrations