Geometry & MOs

Info

ID:	81803
PubChem CID:	49855183
Reduced:	ClSO3N5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	485.069131
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	5.52
IP(EA), eV:	-8.6(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-(2-methoxyanilino)pyrimidin-4-yl]amino]-5-methoxyphenyl]methanesulfonamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC=C(C(=N2)NC3=C(C=C(C=C3)OC)NS(=O)(=O)C)Cl

DOS

IR

Vibrations