Geometry & MOs

Info

ID:	63882
PubChem CID:	26759404
Reduced:	NF3O5C20H20 (1)
Stoich.:	AB3C5D20E20 (1)
Weight, g/mol:	411.129357
ΔH_f, kcal/mol:	-325.36
Dipole, Da:	2.04
IP(EA), eV:	-8.49(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations