Geometry & MOs

Info

ID:	393869
PubChem CID:	135021845
Reduced:	NC5H5 (5)
Stoich.:	AB5C5 (5)
Weight, g/mol:	529.222155
ΔH_f, kcal/mol:	107.25
Dipole, Da:	3.96
IP(EA), eV:	-8.87(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1,3-benzothiazol-2-yl)-4-dodecoxypyridin-2-yl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCCCCCN1C2=CC=CC=C2N=C1C3=CC=CC(=N3)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations