Geometry & MOs

Info

ID:	80569
PubChem CID:	49835186
Reduced:	SO3N5C23H29 (1)
Stoich.:	AB3C5D23E29 (1)
Weight, g/mol:	482.117939
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	2.94
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[7-tert-butyl-5-(2-oxo-1H-pyridin-3-yl)quinoxalin-2-yl]-3-chlorophenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C2C(=C1)N=C(C=N2)N3CCC(CC3)NS(=O)(=O)C)C4=CC=CNC4=O

DOS

IR

Vibrations