Geometry & MOs

Info

ID:	434894
PubChem CID:	135175929
Reduced:	FON8C15H19 (1)
Stoich.:	ABC8D15E19 (1)
Weight, g/mol:	377.076489
ΔH_f, kcal/mol:	26.07
Dipole, Da:	2.76
IP(EA), eV:	-7.95(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)OC)NC2=C3C(=NC(=N2)N4CC[C@@H](C4)F)N(C=N3)C

DOS

IR

Vibrations