Geometry & MOs

Info

ID:

397690

PubChem CID:

135030581

Reduced:

O7C43H60 (1)

Stoich.:

A7B43C60 (1)

Weight, g/mol:

585.387682

ΔHf, kcal/mol:

-270.49

Dipole, Da:

3.85

IP(EA), eV:

 -9.31(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E,5S)-3-[(2S)-1-hydroxy-2-methyl-18-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecylidene]-1,5-dimethylpyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2[C@H](C(C([C@@H](O2)OCCCCCCCCCCCCCCCC=O)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations