Geometry & MOs

Info

ID:

445150

PubChem CID:

135264684

Reduced:

Cl2O3N4H20C21 (1)

Stoich.:

A2B3C4D20E21 (1)

Weight, g/mol:

537.258734

ΔHf, kcal/mol:

-100.67

Dipole, Da:

3.86

IP(EA), eV:

 -9.13(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[6-[[[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbamoylamino]methyl]-3-oxo-1H-isoindol-2-yl]-2,6-dioxopiperidin-1-yl]methyl 2-amino-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC3=C(C2)C=C(C=C3)CNC(=O)NC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations