Geometry & MOs

Info

ID:	81802
PubChem CID:	49855180
Reduced:	ClFSO3N5H17C18 (1)
Stoich.:	ABCD3E5F17G18 (1)
Weight, g/mol:	433.097538
ΔH_f, kcal/mol:	-81.32
Dipole, Da:	6.28
IP(EA), eV:	-8.72(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=CC=CC=C3F)NS(=O)(=O)C

DOS

IR

Vibrations