Geometry & MOs

Info

ID:	68720
PubChem CID:	46508976
Reduced:	SO2N5H25C26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	365.094646
ΔH_f, kcal/mol:	74.6
Dipole, Da:	10.16
IP(EA), eV:	-8.06(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CC=C2)CSC3=NN/C(=C/4\C=NC5=CC=CC=C54)/N3CC6CCCO6

DOS

IR

Vibrations