Geometry & MOs

Info

ID:

219572

PubChem CID:

85149259

Reduced:

N5O10C26H35 (1)

Stoich.:

A5B10C26D35 (1)

Weight, g/mol:

577.288697

ΔHf, kcal/mol:

-357.61

Dipole, Da:

11.84

IP(EA), eV:

 -9.79(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-[3-[[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-methylamino]methyl]-4-methoxy-2,5,6-trimethylphenoxy]oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)O)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations