Geometry & MOs

Info

ID:	121694
PubChem CID:	50777964
Reduced:	ClFSO2N4H12C19 (1)
Stoich.:	ABCD2E4F12G19 (1)
Weight, g/mol:	459.22704
ΔH_f, kcal/mol:	-13.6
Dipole, Da:	3.46
IP(EA), eV:	-9.44(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-4-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC2=CC(=O)N3C(=N2)SC(=N3)C4=CC(=CC=C4)Cl)F

DOS

IR

Vibrations