Geometry & MOs

Info

ID:	53631
PubChem CID:	14717654
Reduced:	SO3F15H21C26 (1)
Stoich.:	AB3C15D21E26 (1)
Weight, g/mol:	598.103576
ΔH_f, kcal/mol:	-830.42
Dipole, Da:	1.78
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-(2-methylbutoxy)phenyl] 4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)benzenecarbothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations