Geometry & MOs

Info

ID:	24044
PubChem CID:	607521
Reduced:	N2O7C21H24 (1)
Stoich.:	A2B7C21D24 (1)
Weight, g/mol:	416.158351
ΔH_f, kcal/mol:	-264.32
Dipole, Da:	3.28
IP(EA), eV:	-9.99(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-[4-(1,3-dioxoisoindol-2-yl)but-2-enyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=CCN1C(=O)C2=CC=CC=C2C1=O)(C(=O)OCC)NC(=O)C

DOS

IR

Vibrations