Geometry & MOs

Info

ID:	8945
PubChem CID:	83904
Reduced:	ISN3O3C18H24 (1)
Stoich.:	ABC3D3E18F24 (1)
Weight, g/mol:	487.05847
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	5.02
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-(4-hydroxy-3-(125I)iodanylphenyl)ethyl]pentanamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCC3=CC(=C(C=C3)O)[125I])NC(=O)N2

DOS

IR

Vibrations