Geometry & MOs

Info

ID:	319704
PubChem CID:	126657050
Reduced:	OS2C19H38 (1)
Stoich.:	AB2C19D38 (1)
Weight, g/mol:	761.301647
ΔH_f, kcal/mol:	-105.73
Dipole, Da:	0.79
IP(EA), eV:	-8.59(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,4,4,5,5,6,6,6-nonafluorohexyl 5-cyano-2-(2-dodecylsulfanylcarbothioylsulfanylpropan-2-yl)-2,4,4,5-tetramethylhexanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSCSC(C)(C)C(C)C=O

DOS

IR

Vibrations