Geometry & MOs

Info

ID:	132928
PubChem CID:	51447997
Reduced:	Cl2N2O5H16C24 (1)
Stoich.:	A2B2C5D16E24 (1)
Weight, g/mol:	439.116821
ΔH_f, kcal/mol:	-137.14
Dipole, Da:	8.01
IP(EA), eV:	-9.17(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C(=CC=C1)Cl)Cl)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations