Geometry & MOs

Info

ID:

215342

PubChem CID:

85084569

Reduced:

N2O13C44H56 (1)

Stoich.:

A2B13C44D56 (1)

Weight, g/mol:

822.176959

ΔHf, kcal/mol:

-499.17

Dipole, Da:

5.53

IP(EA), eV:

 -8.99(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,5-dihydroxy-3-[4-hydroxy-6-(hydroxymethyl)-3-methylsulfonyloxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC1C(OC(CC1(C)N)OCC2=CC3=C(C4=C2C(=O)C=C(O4)C5(C(O5)C)C)C(=O)C6=C(C3=O)C=CC(=C6O)C7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)O)N(C)C)C

DOS

IR

Vibrations