Geometry & MOs

Info

ID:	36765
PubChem CID:	8012416
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	294.100442
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	1.75
IP(EA), eV:	-8.94(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3,4-oxadiazol-2-yl)phenyl] 3,5-dimethylbenzoate

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3SC

DOS

IR

Vibrations