Geometry & MOs

Info

ID:	150900
PubChem CID:	53790597
Reduced:	BrO2C26H27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	313.057278
ΔH_f, kcal/mol:	-5.16
Dipole, Da:	4.34
IP(EA), eV:	-8.34(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-(5-fluoro-1,3-benzothiazol-2-yl)ethenyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=C(C=C(C=C2)CCC=CCCBr)OCC3=CC=CC=C3

DOS

IR

Vibrations