Geometry & MOs

Info

ID:	318941
PubChem CID:	126653787
Reduced:	FSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	532.075526
ΔH_f, kcal/mol:	-137.24
Dipole, Da:	6.01
IP(EA), eV:	-9.78(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-(2-ethyl-2-methylbutanoyl)oxypropanedioate

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1C(=O)CNS(=O)(=O)C2=CC=CC=C2)F

DOS

IR

Vibrations