Geometry & MOs

Info

ID:	156469
PubChem CID:	56370741
Reduced:	O3N6H20C23 (1)
Stoich.:	A3B6C20D23 (1)
Weight, g/mol:	351.067762
ΔH_f, kcal/mol:	25.75
Dipole, Da:	5.58
IP(EA), eV:	-8.77(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1C#N)NC(=O)COC(=O)C2=CN3C=NN=C3C=C2)CC4=CC=CC=C4)C

DOS

IR

Vibrations