Geometry & MOs

Info

ID:	63519
PubChem CID:	26758540
Reduced:	FN2O5H19C21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	452.099534
ΔH_f, kcal/mol:	-208.09
Dipole, Da:	4.69
IP(EA), eV:	-9.29(-0.79)
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] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations