Geometry & MOs

Info

ID:	280938
PubChem CID:	103852039
Reduced:	BrFN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	301.088498
ΔH_f, kcal/mol:	41.5
Dipole, Da:	2.04
IP(EA), eV:	-8.33(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-cyanophenyl)methylamino]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NCC3=C(C=C(C=C3)F)Br)C=NN2

DOS

IR

Vibrations