Geometry & MOs

Info

ID:	137617
PubChem CID:	52235547
Reduced:	FNSO4C12H16 (1)
Stoich.:	ABCD4E12F16 (1)
Weight, g/mol:	378.070799
ΔH_f, kcal/mol:	-196.15
Dipole, Da:	1.57
IP(EA), eV:	-9.01(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[(3-methoxyphenyl)methylsulfonyl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC)S(=O)(=O)CC1=CC(=C(C=C1)OC)F

DOS

IR

Vibrations