Geometry & MOs

Info

ID:	236404
PubChem CID:	92712756
Reduced:	Cl2N2O3H18C19 (1)
Stoich.:	A2B2C3D18E19 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	5.05
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R)-3-acetyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-2H-1,3,4-oxadiazol-5-yl]-1,5-dimethyl-2-phenylpyrazol-3-one

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](OC(=N1)C2=CC=CC=C2)CCCOC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations