Geometry & MOs

Info

ID:	128503
PubChem CID:	51047416
Reduced:	N3O6H15C19 (1)
Stoich.:	A3B6C15D19 (1)
Weight, g/mol:	371.057592
ΔH_f, kcal/mol:	-116.98
Dipole, Da:	7.47
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl 2-pyridin-4-ylsulfanylacetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)OCC2=NC(=NO2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations