Geometry & MOs

Info

ID:	343341
PubChem CID:	127266514
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-41.6
Dipole, Da:	11.83
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[4-(3-methoxyphenyl)but-3-enylsulfanyl]ethyl]-5-methyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=NN(C=C2C#N)C

DOS

IR

Vibrations