Geometry & MOs

Info

ID:	424787
PubChem CID:	135123915
Reduced:	ClSN3O4C28H32 (1)
Stoich.:	ABC3D4E28F32 (1)
Weight, g/mol:	566.359391
ΔH_f, kcal/mol:	-73.8
Dipole, Da:	2.71
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-N,4-N-bis[4-[3-(3-methylimidazol-3-ium-1-yl)propylamino]phenyl]benzene-1,2,4,5-tetramine

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(C3=CC(=C(S3)Cl)COCC4=CC=C(C=C4)OC)C(C)(C)C(=O)OC)C)N=N1

DOS

IR

Vibrations