Geometry & MOs

Info

ID:	156467
PubChem CID:	56370738
Reduced:	SO3N5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	-6.5
Dipole, Da:	2.58
IP(EA), eV:	-8.72(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CC2=NC(=CS2)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations