Geometry & MOs

Info

ID:	128808
PubChem CID:	51058768
Reduced:	ClSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	350.002511
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	4.96
IP(EA), eV:	-8.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dichloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NN/C=C\3/C=C(C=CC3=O)Cl

DOS

IR

Vibrations