Geometry & MOs

Info

ID:	434892
PubChem CID:	135175927
Reduced:	ClFOSN3H19C22 (1)
Stoich.:	ABCDE3F19G22 (1)
Weight, g/mol:	386.076824
ΔH_f, kcal/mol:	18.22
Dipole, Da:	5.11
IP(EA), eV:	-8.24(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-fluoro-6-(1H-indol-3-yl)-3-piperazin-1-yl-2,1-benzothiazole

Drug info:

PubChemData

Smile

COC1=C(C2=CC=CC=C2C=C1)C3=C(C4=NSC(=C4C=C3Cl)N5CCNCC5)F

DOS

IR

Vibrations