Geometry & MOs

Info

ID:	284988
PubChem CID:	104088283
Reduced:	OSN3C10H15 (1)
Stoich.:	ABC3D10E15 (1)
Weight, g/mol:	213.093583
ΔH_f, kcal/mol:	-8.41
Dipole, Da:	2.37
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-amino-5-ethylpyrimidin-4-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC(CO)SC1=NC(=NC(=C1)N)C2CC2

DOS

IR

Vibrations