Geometry & MOs

Info

ID:	343080
PubChem CID:	127266253
Reduced:	FSN2O3C15H17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	336.125612
ΔH_f, kcal/mol:	-122.42
Dipole, Da:	7.52
IP(EA), eV:	-9.49(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(2-ethylphenyl)sulfonylpiperidin-2-yl]-1,2-dihydro-1,2,4-triazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NC(C)C2=C(C=CC=N2)F

DOS

IR

Vibrations