Geometry & MOs

Info

ID:

178999

PubChem CID:

76416559

Reduced:

O3N4C37H44 (1)

Stoich.:

A3B4C37D44 (1)

Weight, g/mol:

998.343824

ΔHf, kcal/mol:

6.73

Dipole, Da:

15.97

IP(EA), eV:

 -6.46(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-acetamido-4-[3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-[4,5-dihydroxy-6-(hydroxymethyl)-2-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1C2CCC3C2C(N(C1(C3N(CC)CC)C4=CC=C(C=C4)C#N)C(=O)C5=COC=C5)C(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations