Geometry & MOs

Info

ID:	77864
PubChem CID:	49665949
Reduced:	ClFSO3N4H16C17 (1)
Stoich.:	ABCD3E4F16G17 (1)
Weight, g/mol:	296.094312
ΔH_f, kcal/mol:	-90.93
Dipole, Da:	4.68
IP(EA), eV:	-9.18(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CN3C(=NN(C3=O)CC4=C(C=C(C=C4)F)Cl)C=C2

DOS

IR

Vibrations