Geometry & MOs

Info

ID:	237081
PubChem CID:	92717177
Reduced:	ClNF2O3H16C22 (1)
Stoich.:	ABC2D3E16F22 (1)
Weight, g/mol:	427.104285
ΔH_f, kcal/mol:	-154.49
Dipole, Da:	2.93
IP(EA), eV:	-9.47(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations