Geometry & MOs

Info

ID:	293215
PubChem CID:	117376723
Reduced:	NSO2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	249.08235
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	3.93
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(piperidin-3-ylmethyl)-1,3-benzoxathiol-2-one

Drug info:

PubChemData

Smile

C1CC(CSC1)OC2=CC=CC=C2CN=C=O

DOS

IR

Vibrations