Geometry & MOs

Info

ID:	53648
PubChem CID:	14717676
Reduced:	ClO4F7C24H24 (1)
Stoich.:	AB4C7D24E24 (1)
Weight, g/mol:	644.118747
ΔH_f, kcal/mol:	-499.92
Dipole, Da:	4.99
IP(EA), eV:	-9.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)phenyl] 3-chloro-4-(4-methylhexoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC(C(C(F)(F)F)(F)F)(F)F)Cl

DOS

IR

Vibrations