Geometry & MOs

Info

ID:	132929
PubChem CID:	51448037
Reduced:	N3O5H17C25 (1)
Stoich.:	A3B5C17D25 (1)
Weight, g/mol:	439.116821
ΔH_f, kcal/mol:	-90.72
Dipole, Da:	6.58
IP(EA), eV:	-9.3(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1C#N)OC(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations