Geometry & MOs

Info

ID:

127897

PubChem CID:

51021719

Reduced:

SiO2C20H34 (1)

Stoich.:

AB2C20D34 (1)

Weight, g/mol:

692.283277

ΔHf, kcal/mol:

-144.34

Dipole, Da:

4.84

IP(EA), eV:

-8.65(0.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(E)-4-[(4R,16S,18R,22R)-4-[(E)-3-carboxybut-2-enyl]-3,7,15,19-tetraoxo-11,22-dipentyl-5,10,17,21-tetraoxaheptacyclo[11.7.2.02,8.02,12.04,6.014,20.016,18]docosa-8,14(20)-dien-16-yl]-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C([C@@H]2C[C@H]1[C@@H]([C@@H]2O[Si](C)(C)C(C)(C)C)C=C)(C)C

DOS

IR

Vibrations