Geometry & MOs

Info

ID:	290871
PubChem CID:	111382244
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	433.126
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	1.5
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2-methylsulfonylethyl)-3-nonylguanidine;hydroiodide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=N1)SCC(C3=CC(=CC=C3)OC)O

DOS

IR

Vibrations