Geometry & MOs

Info

ID:

381351

PubChem CID:

134972061

Reduced:

NSiO5C43H51 (1)

Stoich.:

ABC5D43E51 (1)

Weight, g/mol:

737.216713

ΔHf, kcal/mol:

-67.16

Dipole, Da:

4.66

IP(EA), eV:

 -8.99(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4-diacetyloxy-6-[2-acetyloxy-2-[(2S,5R)-3,4-diacetyloxy-5-methoxyoxolan-2-yl]ethoxy]-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC(C/C=C\C(C)(C)CC#CCOCC3=CC=C(C=C3)[N+](=O)[O-])COCC4=CC=CC=C4

DOS

IR

Vibrations