Geometry & MOs

Info

ID:	328953
PubChem CID:	126729508
Reduced:	OC15H28 (1)
Stoich.:	AB15C28 (1)
Weight, g/mol:	290.009617
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	1.35
IP(EA), eV:	-9.48(2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1,3-benzothiazol-2-yl)-3-fluoro-4-thia-1,2,6-triazabicyclo[3.3.1]nona-2,5,7-triene

Drug info:

PubChemData

Smile

CCC1CCCC(C1)OCC2CCCCC2

DOS

IR

Vibrations