Geometry & MOs

Info

ID:	64736
PubChem CID:	29203929
Reduced:	FN2O2H23C24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	385.126026
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	6.64
IP(EA), eV:	-8.59(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylmethoxy)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)/C=C/C(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations