Geometry & MOs

Info

ID:	63286
PubChem CID:	26750490
Reduced:	N2F3O5H17C20 (1)
Stoich.:	A2B3C5D17E20 (1)
Weight, g/mol:	408.093306
ΔH_f, kcal/mol:	-314.62
Dipole, Da:	5.61
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[3-oxo-6-(trifluoromethyl)-2,4-dihydroquinoxalin-1-yl]ethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)OC(=O)C3=CC(=CC=C3)OC

DOS

IR

Vibrations