Geometry & MOs

Info

ID:	53632
PubChem CID:	14717656
Reduced:	SO3F11H21C24 (1)
Stoich.:	AB3C11D21E24 (1)
Weight, g/mol:	754.177546
ΔH_f, kcal/mol:	-635.7
Dipole, Da:	2.83
IP(EA), eV:	-8.73(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)ethoxy]phenyl] 4-(4-methylhexoxy)benzoate

Drug info:

PubChemData

Smile

CCC(C)COC1=CC=C(C=C1)SC(=O)C2=CC=C(C=C2)OCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations