Geometry & MOs

Info

ID:	28748
PubChem CID:	829351
Reduced:	SO2F3N4H11C12 (1)
Stoich.:	AB2C3D4E11F12 (1)
Weight, g/mol:	260.991821
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	2.29
IP(EA), eV:	-8.81(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=NN2C(=NNC2=S)C(F)(F)F)O

DOS

IR

Vibrations