Geometry & MOs

Info

ID:	267486
PubChem CID:	103582357
Reduced:	BrClSO2N3H11C12 (1)
Stoich.:	ABCD2E3F11G12 (1)
Weight, g/mol:	367.99272
ΔH_f, kcal/mol:	-21.62
Dipole, Da:	2.53
IP(EA), eV:	-9.04(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CNC2=C(C=C(C=N2)Br)Cl)S(=O)(=O)N

DOS

IR

Vibrations