Geometry & MOs

Info

ID:	53300
PubChem CID:	14710237
Reduced:	SO2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	756.329412
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	4.19
IP(EA), eV:	-8.61(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-aminoethylamino)hexyl-[4-[[4-[6-(2-aminoethylamino)hexyl-dimethylazaniumyl]phenyl]methyl]phenyl]-dimethylazanium;dichloride;tetrahydrochloride

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=CS1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations