Geometry & MOs

Info

ID:	236443
PubChem CID:	92712997
Reduced:	Cl2N3O5H15C18 (1)
Stoich.:	A2B3C5D15E18 (1)
Weight, g/mol:	405.114713
ΔH_f, kcal/mol:	-122.66
Dipole, Da:	5.57
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-3-acetyl-5-thiophen-2-yl-2H-1,3,4-oxadiazol-2-yl]phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=C(C(=CC(=C2Cl)Cl)OC)OC(=O)C)C3=CN=CC=C3

DOS

IR

Vibrations