Geometry & MOs

Info

ID:	63817
PubChem CID:	26759251
Reduced:	N2F3O4H17C20 (1)
Stoich.:	A2B3C4D17E20 (1)
Weight, g/mol:	406.114042
ΔH_f, kcal/mol:	-281.44
Dipole, Da:	2.86
IP(EA), eV:	-8.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CC(=O)NC2=CC=CC=C21)OC(=O)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations