Geometry & MOs

Info

ID:

7498

PubChem CID:

73144

Reduced:

S15H32C41O71 (1)

Stoich.:

A15B32C41D71 (1)

Weight, g/mol:

2139.470407

ΔHf, kcal/mol:

-2668.96

Dipole, Da:

6.28

IP(EA), eV:

 -9.97(-2.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trisulfooxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trisulfooxybenzoate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C4=CC(=C(C(=C4)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C5=CC(=C(C(=C5)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OC(=O)C6=CC(=C(C(=C6)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations