Geometry & MOs

Info

ID:	81188
PubChem CID:	49854445
Reduced:	BrSO4N5C19H20 (1)
Stoich.:	ABC4D5E19F20 (1)
Weight, g/mol:	409.08203
ΔH_f, kcal/mol:	-62.26
Dipole, Da:	5.41
IP(EA), eV:	-8.45(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(2,5-difluoroanilino)-5-fluoropyrimidin-4-yl]amino]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)C)Br

DOS

IR

Vibrations