Geometry & MOs

Info

ID:	142728
PubChem CID:	53082462
Reduced:	SN3O6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	455.131506
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	5.79
IP(EA), eV:	-8.98(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-fluorophenyl)-5-[3-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-1-benzofuran-2-yl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)S(=O)(=O)N3CCCCCC3)C4=NC(=NO4)C5=CC(=CC(=C5)OC)OC

DOS

IR

Vibrations