Geometry & MOs

Info

ID:

214683

PubChem CID:

85083402

Reduced:

NO16C22H41 (1)

Stoich.:

AB16C22D41 (1)

Weight, g/mol:

576.250359

ΔHf, kcal/mol:

-719.85

Dipole, Da:

5.4

IP(EA), eV:

 -9.83(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[2-[3-(2-carboxy-1-hydroxyethoxy)-4-hydroxy-1-oxobutan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-2-hydroxypropyl]-tris(2-hydroxyethyl)azanium

Drug info:

PubChemData

Smile

C(CO)[N+](CCO)(CCO)CC(COC1C(C(C(OC1OC(C=O)C(CO)OC(CC(=O)[O-])O)CO)O)O)O

DOS

IR

Vibrations