Geometry & MOs

Info

ID:	227021
PubChem CID:	87559697
Reduced:	NO2C5H9 (1)
Stoich.:	AB2C5D9 (1)
Weight, g/mol:	500.155198
ΔH_f, kcal/mol:	-0.82
Dipole, Da:	3.98
IP(EA), eV:	-9.21(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-1,3-thiazol-4-yl]methoxy]phenyl]-1,3,2-dioxathiane 2-oxide

Drug info:

PubChemData

Smile

C1CC2COON2C1

DOS

IR

Vibrations