Geometry & MOs

Info

ID:	284940
PubChem CID:	104084604
Reduced:	BrClFSH11C14 (1)
Stoich.:	ABCDE11F14 (1)
Weight, g/mol:	242.089599
ΔH_f, kcal/mol:	-9.79
Dipole, Da:	1.18
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(chloromethyl)-4-(2-ethylbutylsulfanyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)Br)CSC2=CC=C(C=C2)CCl

DOS

IR

Vibrations