Geometry & MOs

Info

ID:	211063
PubChem CID:	80891933
Reduced:	OS2N6C10H14 (1)
Stoich.:	AB2C6D10E14 (1)
Weight, g/mol:	252.07933
ΔH_f, kcal/mol:	33.58
Dipole, Da:	3.99
IP(EA), eV:	-8.81(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[6-(methylamino)pyrazin-2-yl]sulfanyl-1H-1,2,4-triazol-5-one

Drug info:

PubChemData

Smile

CCN1C(=O)NN=C1SC2=NC(=NC(=C2)NC)SC

DOS

IR

Vibrations