Geometry & MOs

Info

ID:

44894

PubChem CID:

10506403

Reduced:

O3C16H25 (2)

Stoich.:

A3B16C25 (2)

Weight, g/mol:

530.306596

ΔHf, kcal/mol:

-298.88

Dipole, Da:

5.56

IP(EA), eV:

 -9.4(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-hydroxy-3-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]phenyl] hydrogen sulfate

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3[C@@H]([C@@H]([C@H]4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O)O

DOS

IR

Vibrations