Geometry & MOs

Info

ID:	83491
PubChem CID:	49857654
Reduced:	BrNSO2H20C23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	194.085541
ΔH_f, kcal/mol:	-4.94
Dipole, Da:	4.74
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-ethyl-6-fluoro-3,4-dihydro-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CC1C=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Br

DOS

IR

Vibrations