Geometry & MOs

Info

ID:	249472
PubChem CID:	103089715
Reduced:	BrFNSCl2O3C11H11 (1)
Stoich.:	ABCDE2F3G11H11 (1)
Weight, g/mol:	254.134051
ΔH_f, kcal/mol:	-154.56
Dipole, Da:	5.35
IP(EA), eV:	-9.68(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanyl-1-(2-propan-2-yloxyphenyl)butan-1-ol

Drug info:

PubChemData

Smile

C1COC(CN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)CBr

DOS

IR

Vibrations