Geometry & MOs

Info

ID:	81372
PubChem CID:	49854655
Reduced:	BrSCl2O2N5H16C17 (1)
Stoich.:	ABC2D2E5F16G17 (1)
Weight, g/mol:	466.98184
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	6.28
IP(EA), eV:	-8.69(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-bromo-2-(2-chloroanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC=CC=C3Cl.Cl

DOS

IR

Vibrations