Geometry & MOs

Info

ID:	81283
PubChem CID:	49854549
Reduced:	FSO4N5C19H20 (1)
Stoich.:	ABC4D5E19F20 (1)
Weight, g/mol:	449.01572
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	6.83
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)C)F

DOS

IR

Vibrations