Geometry & MOs

Info

ID:	291657
PubChem CID:	113456180
Reduced:	BrClOSN2H10C12 (1)
Stoich.:	ABCDE2F10G12 (1)
Weight, g/mol:	327.96812
ΔH_f, kcal/mol:	24.31
Dipole, Da:	4.39
IP(EA), eV:	-8.84(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromopyridin-3-yl)methylsulfinyl]-5-fluoroaniline

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N)S(=O)CC2=CC(=CN=C2)Br

DOS

IR

Vibrations