Geometry & MOs

Info

ID:	39040
PubChem CID:	8138415
Reduced:	SN3O4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	400.082599
ΔH_f, kcal/mol:	-88.69
Dipole, Da:	6.98
IP(EA), eV:	-9.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-propanoylphenoxy)acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations