Geometry & MOs

Info

ID:	224923
PubChem CID:	85729274
Reduced:	OS2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	220.043712
ΔH_f, kcal/mol:	28.77
Dipole, Da:	2.22
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethylsulfanyl)-5-pentyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CSC(=NC1=NC2=CC=CC=C2S1)N3CCOCC3

DOS

IR

Vibrations