Geometry & MOs

Info

ID:

149410

PubChem CID:

53789083

Reduced:

N3O5C28H33 (1)

Stoich.:

A3B5C28D33 (1)

Weight, g/mol:

1149.001179

ΔHf, kcal/mol:

-133.61

Dipole, Da:

4.96

IP(EA), eV:

 -8.54(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trihexyl-[(5-trihexylsilyloxy-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontan-6-yl)oxy]silane

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N(C)OC)NC(=O)[C@@H](CC(=O)O)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations