Geometry & MOs

Info

ID:	36760
PubChem CID:	8012307
Reduced:	O2N3H25C27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	393.994569
ΔH_f, kcal/mol:	26.12
Dipole, Da:	5.63
IP(EA), eV:	-8.4(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NN(C=C2C(=O)NC3=CC4=C(CCC4)C=C3)CC5=CC=CC=C5

DOS

IR

Vibrations