Geometry & MOs

Info

ID:	53650
PubChem CID:	14717678
Reduced:	ClO4F11H24C26 (1)
Stoich.:	AB4C11D24E26 (1)
Weight, g/mol:	640.168284
ΔH_f, kcal/mol:	-693.17
Dipole, Da:	2.08
IP(EA), eV:	-8.74(-1.08)
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-methoxy-4-(4-methylhexoxy)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations