Geometry & MOs

Info

ID:

300571

PubChem CID:

121360575

Reduced:

S3O11C32H32 (1)

Stoich.:

A3B11C32D32 (1)

Weight, g/mol:

874.550116

ΔHf, kcal/mol:

-364.3

Dipole, Da:

7.43

IP(EA), eV:

 -8.23(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-3-[(1R)-1-[5-[3-[5-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentoxy]-2-[5-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-2-methylpropoxy]butane-1,2,4-triol

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C3=C(C4=C(C=C3)C=C(C=C4)OS(=O)(=O)O)OC2=C(C1=C)CCCC)C5=C(C=C(C=C5)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations