Geometry & MOs

Info

ID:

378747

PubChem CID:

134224843

Reduced:

SO2N6H16C17 (1)

Stoich.:

AB2C6D16E17 (1)

Weight, g/mol:

577.551943

ΔHf, kcal/mol:

35.03

Dipole, Da:

3.85

IP(EA), eV:

 -9.05(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-[amino(dimethylamino)methylidene]-1,1-dimethyl-2-[[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]guanidine

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(C#N)NC2=NC(=NC=C2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations