Geometry & MOs

Info

ID:	142974
PubChem CID:	53125481
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	451.050588
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	14.79
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C=C(S(=O)(=O)C3=C2C=C(C=C3)C)C#N

DOS

IR

Vibrations