Geometry & MOs

Info

ID:	249464
PubChem CID:	103089679
Reduced:	BrFNSCl2O2C12H13 (1)
Stoich.:	ABCDE2F2G12H13 (1)
Weight, g/mol:	248.043792
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	3.15
IP(EA), eV:	-9.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluorophenyl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations