Geometry & MOs

Info

ID:	63418
PubChem CID:	26758289
Reduced:	ClN3O5H14C20 (1)
Stoich.:	AB3C5D14E20 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	11.09
IP(EA), eV:	-9.45(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations