Geometry & MOs

Info

ID:	69392
PubChem CID:	46531203
Reduced:	ClN4O6H17C24 (1)
Stoich.:	AB4C6D17E24 (1)
Weight, g/mol:	290.029603
ΔH_f, kcal/mol:	-39.31
Dipole, Da:	7.29
IP(EA), eV:	-9.5(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylphenyl)-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)C3=CC=CC=C3NC(=O)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

DOS

IR

Vibrations