Geometry & MOs

Info

ID:	161697
PubChem CID:	57392364
Reduced:	ClSN3O6H24C29 (1)
Stoich.:	ABC3D6E24F29 (1)
Weight, g/mol:	354.121572
ΔH_f, kcal/mol:	-66.97
Dipole, Da:	4.5
IP(EA), eV:	-8.7(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)-2H-1,3,4-oxadiazol-3-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CC3(C2=O)C(C4CSCN4C35C6=C(C=CC(=C6)[N+](=O)[O-])NC5=O)C7=CC=CC=C7Cl)OC

DOS

IR

Vibrations