Geometry & MOs

Info

ID:	263879
PubChem CID:	103404224
Reduced:	NSO3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	300.033541
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	1.8
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COCCOCCCOCC1=C(C=CS1)C#CCN

DOS

IR

Vibrations