Geometry & MOs

Info

ID:	56059
PubChem CID:	17404110
Reduced:	ClON3H10C13 (1)
Stoich.:	ABC3D10E13 (1)
Weight, g/mol:	379.062677
ΔH_f, kcal/mol:	34.21
Dipole, Da:	4.0
IP(EA), eV:	-8.7(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C=C(C=N1)/C=C\2/C3=C(C=CC(=C3)Cl)NC2=O

DOS

IR

Vibrations