Geometry & MOs

Info

ID:	51510
PubChem CID:	12014189
Reduced:	NO2H12C17 (2)
Stoich.:	AB2C12D17 (2)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-39.48
Dipole, Da:	0.78
IP(EA), eV:	-8.95(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)N3C(=O)C4=CC5=C(C=C4C3=O)C(=O)N(C5=O)[C@H](C)C6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations