Geometry & MOs

Info

ID:	63825
PubChem CID:	26759267
Reduced:	NF3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-268.34
Dipole, Da:	5.57
IP(EA), eV:	-8.46(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CC2=CC(=CC=C2)C(F)(F)F)C

DOS

IR

Vibrations