Geometry & MOs

Info

ID:

380627

PubChem CID:

134971123

Reduced:

O4C17H25 (2)

Stoich.:

A4B17C25 (2)

Weight, g/mol:

576.402604

ΔHf, kcal/mol:

-351.99

Dipole, Da:

4.39

IP(EA), eV:

 -9.49(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-O-ethyl 1-O-methyl (2E,4R,8E,10E)-10-[(E,2R,5S,8S)-5-hydroxy-8-[(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl]-2-methylnon-6-enylidene]-2,4-dimethylundeca-2,8-dienedioate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1[C@@H](C)C(=O)C2=C(C(=C)OC2=O)O)/C=C(\CO)/[C@@H]3[C@H](CC[C@@H](O3)/C=C/C[C@@H]4CC[C@@H](O4)[C@@H](C)OC)C

DOS

IR

Vibrations