Geometry & MOs

Info

ID:	129345
PubChem CID:	51072332
Reduced:	FNOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	325.114793
ΔH_f, kcal/mol:	-50.62
Dipole, Da:	3.75
IP(EA), eV:	-9.13(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(2-fluorophenyl)sulfanylacetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)CSC2=CC=CC=C2F

DOS

IR

Vibrations