Geometry & MOs

Info

ID:	31558
PubChem CID:	855868
Reduced:	O2N5H15C17 (1)
Stoich.:	A2B5C15D17 (1)
Weight, g/mol:	332.038627
ΔH_f, kcal/mol:	48.9
Dipole, Da:	5.47
IP(EA), eV:	-9.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3

DOS

IR

Vibrations