Geometry & MOs

Info

ID:	63820
PubChem CID:	26759257
Reduced:	ClNF3O3H15C18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	385.069255
ΔH_f, kcal/mol:	-261.35
Dipole, Da:	4.88
IP(EA), eV:	-9.21(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations