Geometry & MOs

Info

ID:	79038
PubChem CID:	49746493
Reduced:	SO4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	421.084475
ΔH_f, kcal/mol:	25.37
Dipole, Da:	3.05
IP(EA), eV:	-8.2(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C=CC(=C2)OC)OC)C(=O)N3CC(C3)C4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations