Geometry & MOs

Info

ID:	288050
PubChem CID:	104310270
Reduced:	FN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	317.993298
ΔH_f, kcal/mol:	-107.67
Dipole, Da:	9.27
IP(EA), eV:	-9.67(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-2-thieno[3,2-b]thiophen-5-yl-1H-benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)(C)C1=NC2=C(N1)C=C(C(=C2)C(=O)O)F

DOS

IR

Vibrations