Geometry & MOs

Info

ID:	290715
PubChem CID:	109821261
Reduced:	ION6C17H31 (1)
Stoich.:	ABC6D17E31 (1)
Weight, g/mol:	459.05112
ΔH_f, kcal/mol:	-21.67
Dipole, Da:	6.94
IP(EA), eV:	-9.08(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(4-methylsulfonylbutan-2-yl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(C1)NC(=NCCCC2=C(NN=C2)C)NCC.I

DOS

IR

Vibrations