Geometry & MOs

Info

ID:	148428
PubChem CID:	53788090
Reduced:	ClS2N3O6C17H18 (1)
Stoich.:	AB2C3D6E17F18 (1)
Weight, g/mol:	197.116427
ΔH_f, kcal/mol:	-137.8
Dipole, Da:	4.2
IP(EA), eV:	-8.62(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dimethylpyrimidin-4-yl)amino]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(=S)C(=O)NCCSCC2=C(C(=C(C=C2O)OC)Cl)C(=O)OC

DOS

IR

Vibrations