Geometry & MOs

Info

ID:	249467
PubChem CID:	103089691
Reduced:	BrFSCl2N2O2C12H14 (1)
Stoich.:	ABCD2E2F2G12H14 (1)
Weight, g/mol:	242.114065
ΔH_f, kcal/mol:	-109.65
Dipole, Da:	3.59
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluoro-2-methylphenyl)-5-methylsulfanylpentan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CCBr)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations