Geometry & MOs

Info

ID:	262607
PubChem CID:	103303661
Reduced:	BrClSF3H5C11 (1)
Stoich.:	ABCD3E5F11 (1)
Weight, g/mol:	284.130697
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	0.94
IP(EA), eV:	-9.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(4-methylpiperazin-1-yl)sulfonylpyridin-3-amine

Drug info:

PubChemData

Smile

C1=C(SC(=C1)Br)C(C2=CC(=C(C=C2F)F)F)Cl

DOS

IR

Vibrations