Geometry & MOs

Info

ID:

179800

PubChem CID:

76533851

Reduced:

IN3O5C25H34 (1)

Stoich.:

AB3C5D25E34 (1)

Weight, g/mol:

1668.75593

ΔHf, kcal/mol:

-186.6

Dipole, Da:

3.2

IP(EA), eV:

 -9.48(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,9,18,19,28,29,38,39,49,71,72,73,74,77,78-pentadecamethoxy-23,33,67-tris(methoxymethyl)-11,14,21,24,26,31,34,36,41,44,47,55,58,61,65,68,70,75-octadecaoxatridecacyclo[28.24.7.617,40.37,48.222,25.232,35.16,10.116,20.04,53.027,60.037,42.266,69.051,63]octaheptaconta-1,3,6(76),7,9,48,50,53,62-nonaene

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)I)NC(=O)C(CC(=C)C=C)NC(=O)C

DOS

IR

Vibrations