Geometry & MOs

Info

ID:

377128

PubChem CID:

134223166

Reduced:

N2O5C44H46 (1)

Stoich.:

A2B5C44D46 (1)

Weight, g/mol:

895.480537

ΔHf, kcal/mol:

-55.59

Dipole, Da:

5.97

IP(EA), eV:

 -8.37(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]phenyl] 4-[[2-[(E)-[1,3-benzothiazol-2-yl(hexyl)hydrazinylidene]methyl]-4-(4-propylcyclohexyl)phenoxy]methyl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C#CC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C)/C=N/NC4CC5=CC=CC=C5C4

DOS

IR

Vibrations