Geometry & MOs

Info

ID:	81095
PubChem CID:	49854346
Reduced:	SCl2O4N6C18H18 (1)
Stoich.:	AB2C4D6E18F18 (1)
Weight, g/mol:	509.113582
ΔH_f, kcal/mol:	-69.71
Dipole, Da:	6.04
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[5-chloro-2-[5-(2-hydroxyethoxy)-2-methoxyanilino]pyrimidin-4-yl]amino]-6-methoxyphenyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC2=NC(=NC=C2Cl)NC3=C(C=CC(=N3)OC)Cl)NS(=O)(=O)C

DOS

IR

Vibrations