Geometry & MOs

Info

ID:	83998
PubChem CID:	49863126
Reduced:	ClSN3O3C19H24 (1)
Stoich.:	ABC3D3E19F24 (1)
Weight, g/mol:	612.295471
ΔH_f, kcal/mol:	-86.31
Dipole, Da:	5.79
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[4-(3,4-dimethoxyphenyl)-6-methylsulfanylpyrimidin-2-yl]amino]-6-[2-(ethylamino)morpholin-4-yl]-1,3,5-triazin-2-yl]-N-ethylmorpholin-2-amine

Drug info:

PubChemData

Smile

CN1CCC(CC1)NC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3Cl)OC

DOS

IR

Vibrations