Geometry & MOs

Info

ID:	265838
PubChem CID:	103553232
Reduced:	ClFN3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	353.043475
ΔH_f, kcal/mol:	-17.98
Dipole, Da:	3.79
IP(EA), eV:	-8.16(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-ethylsulfonylthiomorpholin-4-yl)-5-fluorobenzene-1,3-diamine

Drug info:

PubChemData

Smile

C1CCN(C2=CC=CC=C2C1)C3=C(C(=C(C=C3N)N)Cl)F

DOS

IR

Vibrations