Geometry & MOs

Info

ID:	315318
PubChem CID:	126625573
Reduced:	SO8C14H24 (1)
Stoich.:	AB8C14D24 (1)
Weight, g/mol:	298.139194
ΔH_f, kcal/mol:	-362.39
Dipole, Da:	3.42
IP(EA), eV:	-10.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-oxo-3-(2,2,2-trifluoroethoxy)propyl] 2-ethyl-2,3-dimethylbutanoate

Drug info:

PubChemData

Smile

C1CC2CC(C1)CC(C2)CCOCOC(=O)C(O)(O)S(=O)(=O)O

DOS

IR

Vibrations