Geometry & MOs

Info

ID:	298644
PubChem CID:	117653453
Reduced:	SF2O3N4H10C19 (1)
Stoich.:	AB2C3D4E10F19 (1)
Weight, g/mol:	481.072386
ΔH_f, kcal/mol:	-46.62
Dipole, Da:	8.25
IP(EA), eV:	-9.58(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopyrimidin-4-yl)-3-[4-(3-chloro-2-cyanophenoxy)-4H-pyrimidin-3-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)OC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=C(C=C3)F)C#N

DOS

IR

Vibrations