Geometry & MOs

Info

ID:	290574
PubChem CID:	109756625
Reduced:	O3N4C15H24 (1)
Stoich.:	A3B4C15D24 (1)
Weight, g/mol:	556.98447
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	7.61
IP(EA), eV:	-8.94(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-bromophenyl)sulfonylethyl]-1-ethyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CN=C(NCCN1C(=O)CCCC1=O)NC2CC3CCC2O3

DOS

IR

Vibrations