Geometry & MOs

Info

ID:	31550
PubChem CID:	855860
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	332.038627
ΔH_f, kcal/mol:	-54.87
Dipole, Da:	3.67
IP(EA), eV:	-9.12(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NN

DOS

IR

Vibrations