Geometry & MOs

Info

ID:	196442
PubChem CID:	78827210
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	431.087453
ΔH_f, kcal/mol:	55.49
Dipole, Da:	2.37
IP(EA), eV:	-8.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NOC(=N3)C4=CC=CC=C4)CC=C)C

DOS

IR

Vibrations