Geometry & MOs

Info

ID:	197095
PubChem CID:	78921565
Reduced:	SN3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	297.119878
ΔH_f, kcal/mol:	63.73
Dipole, Da:	3.15
IP(EA), eV:	-9.2(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(4-fluorophenyl)sulfanylethyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=N1)NCC2=NC=CS2

DOS

IR

Vibrations