Geometry & MOs

Info

ID:	277120
PubChem CID:	103826843
Reduced:	BrClNOC11H11 (1)
Stoich.:	ABCDE11F11 (1)
Weight, g/mol:	334.97463
ΔH_f, kcal/mol:	-4.44
Dipole, Da:	4.22
IP(EA), eV:	-9.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(3-methylsulfanylbutyl)benzamide

Drug info:

PubChemData

Smile

CN(C1CC1)C(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations