Geometry & MOs

Info

ID:	290577
PubChem CID:	109756652
Reduced:	IOSN4C20H37 (1)
Stoich.:	ABCD4E20F37 (1)
Weight, g/mol:	445.08961
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	1.99
IP(EA), eV:	-8.45(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-tert-butylsulfonylethyl)-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCNC(=NCC1(CCCCC1)N2CCSCC2)NC3CC4CCC3O4.I

DOS

IR

Vibrations