Geometry & MOs

Info

ID:

222849

PubChem CID:

85332732

Reduced:

NO17C20H33 (1)

Stoich.:

AB17C20D33 (1)

Weight, g/mol:

559.174849

ΔHf, kcal/mol:

-755.0

Dipole, Da:

10.27

IP(EA), eV:

 -10.38(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)C(=O)O)O)O)O)O)O)O

DOS

IR

Vibrations