Geometry & MOs

Info

ID:	77865
PubChem CID:	49665951
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-63.28
Dipole, Da:	3.98
IP(EA), eV:	-9.17(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpropyl)-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)N2C=C(C=CC2=N1)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations