Geometry & MOs

Info

ID:	202522
PubChem CID:	79682630
Reduced:	NO2S2C10H11 (1)
Stoich.:	AB2C2D10E11 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-26.37
Dipole, Da:	1.69
IP(EA), eV:	-9.06(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydroxypropylsulfanyl)-1-propan-2-ylpyrazin-2-one

Drug info:

PubChemData

Smile

C1=CC2=C(SN=C2C=C1)SCC(CO)O

DOS

IR

Vibrations