Geometry & MOs

Info

ID:	156673
PubChem CID:	56371638
Reduced:	SN4O4C16H16 (1)
Stoich.:	AB4C4D16E16 (1)
Weight, g/mol:	436.093833
ΔH_f, kcal/mol:	-55.99
Dipole, Da:	3.86
IP(EA), eV:	-9.74(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)COC(=O)C2=CN3C=NN=C3C=C2

DOS

IR

Vibrations