Geometry & MOs

Info

ID:	249276
PubChem CID:	103088276
Reduced:	BrFNSCl2O2H9C13 (1)
Stoich.:	ABCDE2F2G9H13 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	-81.47
Dipole, Da:	3.79
IP(EA), eV:	-9.79(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methylsulfanylbutylamino)methyl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CNS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations