Geometry & MOs

Info

ID:	28955
PubChem CID:	830852
Reduced:	NOC18H21 (1)
Stoich.:	ABC18D21 (1)
Weight, g/mol:	340.081639
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	2.08
IP(EA), eV:	-8.94(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(6-amino-1,3-benzothiazol-2-yl)propyl]-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CN1[C@H](CC(C[C@@H]1C2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations