Geometry & MOs

Info

ID:	81375
PubChem CID:	49854658
Reduced:	BrSO2N5C19H20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	499.00805
ΔH_f, kcal/mol:	1.2
Dipole, Da:	5.97
IP(EA), eV:	-8.45(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-bromo-2-(2-methoxyanilino)pyrimidin-4-yl]amino]phenyl]methanesulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)C)Br

DOS

IR

Vibrations