Geometry & MOs

Info

ID:

214824

PubChem CID:

85083702

Reduced:

Si2O5C36H48 (1)

Stoich.:

A2B5C36D48 (1)

Weight, g/mol:

616.128229

ΔHf, kcal/mol:

-249.43

Dipole, Da:

3.38

IP(EA), eV:

 -8.68(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(C(C)(C(=O)C=C)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations