Geometry & MOs

Info

ID:	51511
PubChem CID:	12014190
Reduced:	NO3H12C13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	1.73
IP(EA), eV:	-10.12(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-cyclohexyl-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=C(C2=O)C=C4C(=C3)C(=O)N(C4=O)C5CCCCC5

DOS

IR

Vibrations