Geometry & MOs

Info

ID:	3599
PubChem CID:	9836
Reduced:	ClFSH10C13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	252.017577
ΔH_f, kcal/mol:	-11.81
Dipole, Da:	1.9
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-[(4-fluorophenyl)sulfanylmethyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSC2=CC=C(C=C2)F)Cl

DOS

IR

Vibrations