Geometry & MOs

Info

ID:	120820
PubChem CID:	50745728
Reduced:	ClO2N4H17C22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	457.163771
ΔH_f, kcal/mol:	48.18
Dipole, Da:	6.43
IP(EA), eV:	-8.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations