Geometry & MOs

Info

ID:

176083

PubChem CID:

75992908

Reduced:

NSO24C32H47 (1)

Stoich.:

ABC24D32E47 (1)

Weight, g/mol:

567.14692

ΔHf, kcal/mol:

-1069.2

Dipole, Da:

1.9

IP(EA), eV:

 -10.42(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dihydroxy-6-(hydroxymethyl)-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-sulfonamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)S(=O)(=O)NC3C(C(C(OC3O)CO)O)O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations