Geometry & MOs

Info

ID:	198715
PubChem CID:	79140398
Reduced:	FN2O2C12H13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	328.96854
ΔH_f, kcal/mol:	-61.91
Dipole, Da:	3.75
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromo-2-fluorophenyl)methylsulfanyl]-2-fluoroaniline

Drug info:

PubChemData

Smile

CNCC1=C(OC=N1)C2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations