Geometry & MOs

Info

ID:	63943
PubChem CID:	26759528
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	436.124606
ΔH_f, kcal/mol:	-163.68
Dipole, Da:	1.51
IP(EA), eV:	-8.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]propan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations