Geometry & MOs

Info

ID:

224506

PubChem CID:

85344051

Reduced:

CuN4O4C46H52 (1)

Stoich.:

AB4C4D46E52 (1)

Weight, g/mol:

786.534072

ΔHf, kcal/mol:

89.96

Dipole, Da:

9.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.142906

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[2-[2-[2-(hexadecoxymethyl)-3-hydroxy-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=CC(=CC(=O)C=CC2=CC=C(C=C2)N(C)C)O.CN(C)C1=CC=C(C=C1)C=CC(=CC(=O)C=CC2=CC=C(C=C2)N(C)C)O.[Cu]

DOS

IR

Vibrations