Geometry & MOs

Info

ID:	81665
PubChem CID:	49854984
Reduced:	ClSO5N6C19H21 (1)
Stoich.:	ABC5D6E19F21 (1)
Weight, g/mol:	493.118668
ΔH_f, kcal/mol:	-110.1
Dipole, Da:	4.63
IP(EA), eV:	-8.51(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations