Geometry & MOs

Info

ID:	317666
PubChem CID:	126644891
Reduced:	BrNF3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	333.047107
ΔH_f, kcal/mol:	-120.56
Dipole, Da:	4.81
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]phenoxy]acetate

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations