Geometry & MOs

Info

ID:	267247
PubChem CID:	103581525
Reduced:	BrClNOF3C11H12 (1)
Stoich.:	ABCDE3F11G12 (1)
Weight, g/mol:	353.98044
ΔH_f, kcal/mol:	-182.48
Dipole, Da:	4.43
IP(EA), eV:	-9.56(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-bromo-3-chlorophenyl)methylamino]propyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCCOCC(F)(F)F)Cl)Br

DOS

IR

Vibrations