Geometry & MOs

Info

ID:	266991
PubChem CID:	103580331
Reduced:	BrClSN2C10H12 (1)
Stoich.:	ABCD2E10F12 (1)
Weight, g/mol:	339.96479
ΔH_f, kcal/mol:	14.37
Dipole, Da:	3.22
IP(EA), eV:	-8.68(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(2-methyl-2-methylsulfonylpropyl)pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC(CSC1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations