Geometry & MOs

Info

ID:	139250
PubChem CID:	52498187
Reduced:	FSCl2O2H15C16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	343.149619
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	1.5
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OCCC[S@@](=O)CC2=C(C=C(C=C2)Cl)Cl)F

DOS

IR

Vibrations