Geometry & MOs

Info

ID:	82832
PubChem CID:	49856630
Reduced:	FOPN6H28C30 (1)
Stoich.:	ABCD6E28F30 (1)
Weight, g/mol:	388.019633
ΔH_f, kcal/mol:	66.4
Dipole, Da:	3.77
IP(EA), eV:	-8.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1,3-benzothiazol-2-ylmethylsulfanyl)ethylsulfanylmethyl]-1,3-benzothiazole

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F

DOS

IR

Vibrations