Geometry & MOs

Info

ID:	139544
PubChem CID:	52553001
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	372.077993
ΔH_f, kcal/mol:	-9.13
Dipole, Da:	4.07
IP(EA), eV:	-9.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl 3-(4-acetylphenoxy)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NC(=C(C=C1)C#N)SCCCC2=CC=CC=C2

DOS

IR

Vibrations