Geometry & MOs

Info

ID:

51507

PubChem CID:

12014185

Reduced:

O2N3C24H24 (2)

Stoich.:

A2B3C24D24 (2)

Weight, g/mol:

540.153266

ΔHf, kcal/mol:

-38.68

Dipole, Da:

1.59

IP(EA), eV:

 -9.15(-2.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R)-2-[2-[(2R)-1-benzoyloxypropan-2-yl]-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]propyl] benzoate

Drug info:

PubChemData

Smile

CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=CC=NC4=CC=CC=C34)N5C(=O)C6=CC7=C(C=C6C5=O)C(=O)N(C7=O)[C@@H]([C@H]8C[C@@H]9CCN8C[C@@H]9CC)C1=CC=NC2=CC=CC=C12

DOS

IR

Vibrations