Geometry & MOs

Info

ID:	139167
PubChem CID:	52484646
Reduced:	ClNSH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	262.082764
ΔH_f, kcal/mol:	62.83
Dipole, Da:	3.87
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylsulfanylmethyl)-4-fluoro-1-methoxybenzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CSCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations