Geometry & MOs

Info

ID:	249480
PubChem CID:	103089835
Reduced:	BrFNSCl2O2C11H13 (1)
Stoich.:	ABCDE2F2G11H13 (1)
Weight, g/mol:	321.97938
ΔH_f, kcal/mol:	-135.02
Dipole, Da:	4.36
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-chlorophenyl)-5-methylsulfanylpentan-2-ol

Drug info:

PubChemData

Smile

CC(C)C(CNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)Br

DOS

IR

Vibrations