Geometry & MOs

Info

ID:	202540
PubChem CID:	79682771
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	288.019622
ΔH_f, kcal/mol:	-51.28
Dipole, Da:	7.74
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]sulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NC(=CN12)CSCC(CO)O)C

DOS

IR

Vibrations