Geometry & MOs

Info

ID:	168131
PubChem CID:	74928239
Reduced:	ClN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	270.057532
ΔH_f, kcal/mol:	-132.76
Dipole, Da:	4.59
IP(EA), eV:	-8.61(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylthiadiazol-5-yl)-5-(2-phenylethenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CC(=O)NC2=CC=C(C=C2)CCNCC(COC3=CC=C(C=C3)O)O.Cl

DOS

IR

Vibrations