Geometry & MOs

Info

ID:	55348
PubChem CID:	17395270
Reduced:	OSN5C12H21 (1)
Stoich.:	ABC5D12E21 (1)
Weight, g/mol:	257.029269
ΔH_f, kcal/mol:	1.08
Dipole, Da:	2.79
IP(EA), eV:	-9.5(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCN1C(=NN=N1)SCC(=O)NC2CCCCCC2

DOS

IR

Vibrations