Geometry & MOs

Info

ID:	63824
PubChem CID:	26759263
Reduced:	N2F3O6H17C19 (1)
Stoich.:	A2B3C6D17E19 (1)
Weight, g/mol:	379.139528
ΔH_f, kcal/mol:	-295.22
Dipole, Da:	5.05
IP(EA), eV:	-9.05(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations