Geometry & MOs

Info

ID:	21340
PubChem CID:	587963
Reduced:	FNSH8C9 (1)
Stoich.:	ABCD8E9 (1)
Weight, g/mol:	181.036149
ΔH_f, kcal/mol:	2.01
Dipole, Da:	4.44
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-fluorophenyl)sulfanylpropanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCCC#N

DOS

IR

Vibrations