Geometry & MOs

Info

ID:	77866
PubChem CID:	49665952
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	404.13184
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	3.74
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-fluorophenyl)methyl]-6-(4-methylpiperidin-1-yl)sulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations