Geometry & MOs

Info

ID:	360753
PubChem CID:	127301398
Reduced:	FSN3O3C15H18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-83.57
Dipole, Da:	2.2
IP(EA), eV:	-9.02(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-benzylpiperidin-1-yl)sulfonylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCN(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations