Geometry & MOs

Info

ID:	348538
PubChem CID:	127273649
Reduced:	S2O3N5C14H19 (1)
Stoich.:	A2B3C5D14E19 (1)
Weight, g/mol:	351.172896
ΔH_f, kcal/mol:	-56.09
Dipole, Da:	4.56
IP(EA), eV:	-9.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C(C)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations