Geometry & MOs

Info

ID:

26015

PubChem CID:

635963

Reduced:

ClO2N3C36H44 (1)

Stoich.:

AB2C3D36E44 (1)

Weight, g/mol:

771.017278

ΔHf, kcal/mol:

-43.38

Dipole, Da:

6.11

IP(EA), eV:

 -8.55(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-2-methoxyphenyl] 2,2,3,3,4,4,4-heptafluorobutanoate

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=C(C=C1)OC(C(C)C)C(=O)NC2=CC=CC=C2C3=C(NC(=N3)C4=CC=CC=C4)Cl)C(C)(C)CC

DOS

IR

Vibrations