Geometry & MOs

Info

ID:	81185
PubChem CID:	49854442
Reduced:	SF2O2N5H15C17 (1)
Stoich.:	AB2C2D5E15F17 (1)
Weight, g/mol:	493.04194
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	4.05
IP(EA), eV:	-8.66(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC=C1NC2=NC(=NC=C2F)NC3=CC=CC=C3F

DOS

IR

Vibrations