Geometry & MOs

Info

ID:	249469
PubChem CID:	103089707
Reduced:	BrFNSCl2O2C11H11 (1)
Stoich.:	ABCDE2F2G11H11 (1)
Weight, g/mol:	232.073343
ΔH_f, kcal/mol:	-118.22
Dipole, Da:	4.05
IP(EA), eV:	-9.98(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

C1CN(CC1CBr)S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations