Geometry & MOs

Info

ID:	250317
PubChem CID:	103095636
Reduced:	ClOSN3C9H10 (1)
Stoich.:	ABCD3E9F10 (1)
Weight, g/mol:	252.033541
ΔH_f, kcal/mol:	36.97
Dipole, Da:	4.55
IP(EA), eV:	-9.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-chloropropyl)-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCC(C1=NOC(=N1)C2=CSC(=N2)C)Cl

DOS

IR

Vibrations