Geometry & MOs

Info

ID:	434891
PubChem CID:	135175926
Reduced:	ClFSN5H19C20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	427.092139
ΔH_f, kcal/mol:	57.89
Dipole, Da:	6.02
IP(EA), eV:	-8.35(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CNCCN1C2=C3C=C(C(=C(C3=NS2)F)C4=C(C=CC5=C4C=NN5)C)Cl

DOS

IR

Vibrations