Geometry & MOs

Info

ID:	203022
PubChem CID:	79762242
Reduced:	ClSN3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	226.095357
ΔH_f, kcal/mol:	38.3
Dipole, Da:	4.21
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-methyloxolan-3-yl)-1,2,4-oxadiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCNC(CC1=NC=CN1C)CSC2=CC=CC=C2Cl

DOS

IR

Vibrations