Geometry & MOs

Info

ID:	81189
PubChem CID:	49854446
Reduced:	SO2F3N5H14C17 (1)
Stoich.:	AB2C3D5E14F17 (1)
Weight, g/mol:	409.08203
ΔH_f, kcal/mol:	-121.15
Dipole, Da:	7.09
IP(EA), eV:	-8.83(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NC2=NC(=NC=C2F)NC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations