Geometry & MOs

Info

ID:	196439
PubChem CID:	78826568
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	417.071802
ΔH_f, kcal/mol:	-14.9
Dipole, Da:	4.86
IP(EA), eV:	-8.71(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-3-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3CCCCC3C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations