Geometry & MOs

Info

ID:	136396
PubChem CID:	52032777
Reduced:	FO3N5C25H28 (1)
Stoich.:	AB3C5D25E28 (1)
Weight, g/mol:	472.05686
ΔH_f, kcal/mol:	-93.04
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-3-(2-oxo-3-thiomorpholin-4-ylquinoxalin-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN3C4=CC=CC=C4N=C(C3=O)N5CCOCC5

DOS

IR

Vibrations