Geometry & MOs

Info

ID:	63434
PubChem CID:	26758338
Reduced:	ClO3N4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	360.092163
ΔH_f, kcal/mol:	-25.4
Dipole, Da:	4.6
IP(EA), eV:	-8.54(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2,4-difluorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations