Geometry & MOs

Info

ID:

53653

PubChem CID:

14717682

Reduced:

NSO6F17C32H32 (1)

Stoich.:

ABC6D17E32F32 (1)

Weight, g/mol:

842.151173

ΔHf, kcal/mol:

-1054.65

Dipole, Da:

8.06

IP(EA), eV:

 -8.85(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecoxy)phenyl] 4-(4-methylhexoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)CCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations