Geometry & MOs

Info

ID:	81746
PubChem CID:	49855085
Reduced:	ClFSO4N5C19H19 (1)
Stoich.:	ABCD4E5F19G19 (1)
Weight, g/mol:	451.088117
ΔH_f, kcal/mol:	-123.83
Dipole, Da:	8.32
IP(EA), eV:	-8.34(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-(4-fluoro-2-methylanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)F)OC)NS(=O)(=O)C

DOS

IR

Vibrations