Geometry & MOs

Info

ID:	366741
PubChem CID:	127320270
Reduced:	SO2N6C11H16 (1)
Stoich.:	AB2C6D11E16 (1)
Weight, g/mol:	311.085224
ΔH_f, kcal/mol:	11.9
Dipole, Da:	5.52
IP(EA), eV:	-9.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]sulfonylpyridine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N2CCCC(C2)N3C=NC=N3

DOS

IR

Vibrations