Geometry & MOs

Info

ID:	196955
PubChem CID:	78900216
Reduced:	FSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	334.171499
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	1.97
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methylphenyl)methylsulfanyl]-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)NCC2=CC(=C(C=C2)N3CCOCC3)F

DOS

IR

Vibrations