Geometry & MOs

Info

ID:

215425

PubChem CID:

85084714

Reduced:

N2O10C20H23 (2)

Stoich.:

A2B10C20D23 (2)

Weight, g/mol:

902.410722

ΔHf, kcal/mol:

-796.94

Dipole, Da:

3.12

IP(EA), eV:

 -9.54(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 9-[3-acetamido-4-[4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonanoate

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C1C(C(CC(O1)(C(=O)OCC2=CC=CC=C2)N3C=NC4=C(C3=O)N=CN4C5C(C(C(O5)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations