Geometry & MOs

Info

ID:

406674

PubChem CID:

135078319

Reduced:

N4O19C26H43 (1)

Stoich.:

A4B19C26D43 (1)

Weight, g/mol:

716.259975

ΔHf, kcal/mol:

-776.63

Dipole, Da:

4.0

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760218

Charge, e:

 0

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-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)OCCCN=[N+]=[N-])CO)CO)O)O

DOS

IR

Vibrations