Geometry & MOs

Info

ID:	77871
PubChem CID:	49666064
Reduced:	ClSO2N4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	398.060425
ΔH_f, kcal/mol:	48.17
Dipole, Da:	4.31
IP(EA), eV:	-9.66(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CC2=CC=CC=C2Cl)S(=O)(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations