Geometry & MOs

Info

ID:	53630
PubChem CID:	14717652
Reduced:	SO3F7H21C22 (1)
Stoich.:	AB3C7D21E22 (1)
Weight, g/mol:	698.097188
ΔH_f, kcal/mol:	-442.84
Dipole, Da:	2.31
IP(EA), eV:	-8.77(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[4-(2-methylbutoxy)phenyl] 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctoxy)benzenecarbothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations