Geometry & MOs

Info

ID:	290575
PubChem CID:	109756634
Reduced:	BrISN3O3C17H25 (1)
Stoich.:	ABCD3E3F17G25 (1)
Weight, g/mol:	512.12844
ΔH_f, kcal/mol:	-85.9
Dipole, Da:	4.57
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCCS(=O)(=O)C1=CC=C(C=C1)Br)NC2CC3CCC2O3.I

DOS

IR

Vibrations