Geometry & MOs

Info

ID:	246136
PubChem CID:	103046599
Reduced:	ClFSN2C13H16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	332.058397
ΔH_f, kcal/mol:	-31.8
Dipole, Da:	3.84
IP(EA), eV:	-8.71(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]-4-methylsulfanylpiperidine-4-carbothioamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=S)N)CC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations