Geometry & MOs

Info

ID:	81282
PubChem CID:	49854547
Reduced:	FSO3N5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	433.122003
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	3.62
IP(EA), eV:	-8.45(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC)NC2=NC=C(C(=N2)NC3=CC=CC=C3NS(=O)(=O)C)F

DOS

IR

Vibrations