Geometry & MOs

Info

ID:

406673

PubChem CID:

135078317

Reduced:

NSiCl3O9C41H50 (1)

Stoich.:

ABC3D9E41F50 (1)

Weight, g/mol:

715.25215

ΔHf, kcal/mol:

-394.26

Dipole, Da:

5.85

IP(EA), eV:

 -8.99(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

5-acetamido-2-[2-[6-(3-azidopropoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OC1C(C(OC(C1OC(=O)C(C)(C)C)OC(=N)C(Cl)(Cl)Cl)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCC4=CC=CC=C4

DOS

IR

Vibrations