Geometry & MOs

Info

ID:	63539
PubChem CID:	26758579
Reduced:	NF4O4H17C20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	411.109371
ΔH_f, kcal/mol:	-335.24
Dipole, Da:	3.0
IP(EA), eV:	-9.5(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations