Geometry & MOs

Info

ID:	53629
PubChem CID:	14717651
Reduced:	SO3F11H25C26 (1)
Stoich.:	AB3C11D25E26 (1)
Weight, g/mol:	498.109963
ΔH_f, kcal/mol:	-643.01
Dipole, Da:	5.05
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-(2-methylbutoxy)phenyl] 4-(2,2,3,3,4,4,4-heptafluorobutoxy)benzenecarbothioate

Drug info:

PubChemData

Smile

CCC(C)CCCOC1=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