Geometry & MOs

Info

ID:	328876
PubChem CID:	126728470
Reduced:	FSN2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	485.050398
ΔH_f, kcal/mol:	15.4
Dipole, Da:	3.31
IP(EA), eV:	-9.09(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carboxypyridin-2-yl)-6-[4-[(E)-2-thieno[3,2-b]thiophen-5-ylethenyl]pyridin-2-yl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1F)CN)C2=CSC=C2

DOS

IR

Vibrations