Geometry & MOs

Info

ID:	59391
PubChem CID:	24848783
Reduced:	O3C14H19 (2)
Stoich.:	A3B14C19 (2)
Weight, g/mol:	476.002814
ΔH_f, kcal/mol:	-273.17
Dipole, Da:	5.77
IP(EA), eV:	-9.91(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(trifluoromethylsulfanyl)ethyl]-2-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)propanedinitrile

Drug info:

PubChemData

Smile

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]4[C@]2(O[C@@H](O4)C5CCCCC5)C(=O)CO)CCC6=CC(=O)C=C[C@]36C)O

DOS

IR

Vibrations