Geometry & MOs

Info

ID:	142975
PubChem CID:	53125721
Reduced:	ClSO3N5H14C21 (1)
Stoich.:	ABC3D5E14F21 (1)
Weight, g/mol:	383.105211
ΔH_f, kcal/mol:	40.72
Dipole, Da:	3.65
IP(EA), eV:	-9.06(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)oxy]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(C3=NN=CN23)OC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations