Geometry & MOs

Info

ID:	53628
PubChem CID:	14717650
Reduced:	O2F15H21C26 (1)
Stoich.:	A2B15C21D26 (1)
Weight, g/mol:	626.134876
ΔH_f, kcal/mol:	-808.51
Dipole, Da:	6.17
IP(EA), eV:	-9.43(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)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