Geometry & MOs

Info

ID:	120980
PubChem CID:	50752510
Reduced:	FS2O4N5C19H24 (1)
Stoich.:	AB2C4D5E19F24 (1)
Weight, g/mol:	468.11609
ΔH_f, kcal/mol:	-124.85
Dipole, Da:	1.66
IP(EA), eV:	-9.13(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC1=NN=C(N1CC=C)SCC(=O)N2CCOCC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations