Geometry & MOs

Info

ID:	39014
PubChem CID:	8138358
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	354.03421
ΔH_f, kcal/mol:	-85.69
Dipole, Da:	1.51
IP(EA), eV:	-8.93(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-(quinazolin-4-ylsulfanylmethyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations