Geometry & MOs

Info

ID:	63819
PubChem CID:	26759254
Reduced:	NO2F3H6C7 (2)
Stoich.:	AB2C3D6E7 (2)
Weight, g/mol:	385.069255
ΔH_f, kcal/mol:	-478.59
Dipole, Da:	4.05
IP(EA), eV:	-10.44(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)CC(=O)OCC(=O)NC(=O)NCC(F)(F)F

DOS

IR

Vibrations