Geometry & MOs

Info

ID:	51508
PubChem CID:	12014187
Reduced:	NO4H12C15 (2)
Stoich.:	AB4C12D15 (2)
Weight, g/mol:	540.153266
ΔH_f, kcal/mol:	-238.2
Dipole, Da:	4.38
IP(EA), eV:	-10.1(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](COC(=O)C1=CC=CC=C1)N2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)[C@H](C)COC(=O)C5=CC=CC=C5

DOS

IR

Vibrations