Geometry & MOs

Info

ID:	263274
PubChem CID:	103351130
Reduced:	BrClNSH11C13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	360.9339
ΔH_f, kcal/mol:	35.33
Dipole, Da:	2.57
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[(3-chloro-4-fluorophenyl)sulfinylmethyl]aniline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1SCC2=CC(=CC(=C2)Br)N)Cl

DOS

IR

Vibrations