Geometry & MOs

Info

ID:	343369
PubChem CID:	127266542
Reduced:	FN2O2H9C11 (1)
Stoich.:	AB2C2D9E11 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	-3.25
Dipole, Da:	8.88
IP(EA), eV:	-9.0(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-6-(2-pyrimidin-4-ylethenyl)-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

C1CC1C2=N/C(=C\3/C=CC(=O)C(=C3)F)/NO2

DOS

IR

Vibrations