Geometry & MOs

Info

ID:	63881
PubChem CID:	26759403
Reduced:	FNO5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	411.129357
ΔH_f, kcal/mol:	-214.66
Dipole, Da:	5.74
IP(EA), eV:	-8.73(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-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=C1)F)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations