Geometry & MOs

Info

ID:	35871
PubChem CID:	7980427
Reduced:	N2F3O6H13C17 (1)
Stoich.:	A2B3C6D13E17 (1)
Weight, g/mol:	367.103142
ΔH_f, kcal/mol:	-277.02
Dipole, Da:	3.69
IP(EA), eV:	-9.31(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations