Geometry & MOs

Info

ID:

214682

PubChem CID:

85083393

Reduced:

N3O7C32H35 (1)

Stoich.:

A3B7C32D35 (1)

Weight, g/mol:

575.242534

ΔHf, kcal/mol:

-218.56

Dipole, Da:

13.44

IP(EA), eV:

 -9.18(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[2-hydroxy-3-[tris(2-hydroxyethyl)azaniumyl]propoxy]oxan-2-yl]oxy-1-hydroxy-4-oxobutan-2-yl]oxy-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)C5=CC=C(C=C5)CN6CCCC6

DOS

IR

Vibrations