Geometry & MOs

Info

ID:	208115
PubChem CID:	80496563
Reduced:	OSN5C7H11 (1)
Stoich.:	ABC5D7E11 (1)
Weight, g/mol:	227.01131
ΔH_f, kcal/mol:	28.88
Dipole, Da:	2.27
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCN(CC(=S)N)C(=O)C1=NNN=C1

DOS

IR

Vibrations