Geometry & MOs

Info

ID:

224206

PubChem CID:

85340100

Reduced:

N3S9C36O57H59 (1)

Stoich.:

A3B9C36D57E59 (1)

Weight, g/mol:

2006.67066

ΔHf, kcal/mol:

-2360.2

Dipole, Da:

7.18

IP(EA), eV:

 -10.53(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[2-[4-[4-[3,5-dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyethoxy]-3,5-dihydroxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

C1=C(OC(C(C1O)OS(=O)(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC3C(C(C(OC3C(=O)O)OC4C(OC(C(C4O)NS(=O)(=O)O)OC5C(C(C(OC5C(=O)O)OC(C(COS(=O)(=O)O)O)C(C(CO)NS(=O)(=O)O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O

DOS

IR

Vibrations