Geometry & MOs

Info

ID:	328877
PubChem CID:	126728623
Reduced:	S2N3O4H15C25 (1)
Stoich.:	A2B3C4D15E25 (1)
Weight, g/mol:	479.093977
ΔH_f, kcal/mol:	3.96
Dipole, Da:	4.06
IP(EA), eV:	-8.79(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-2-(1-benzothiophen-2-yl)ethenyl]pyridin-2-yl]-6-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CN=C(C=C1/C=C/C2=CC3=C(S2)C=CS3)C4=NC(=CC(=C4)C(=O)O)C5=NC=CC(=C5)C(=O)O

DOS

IR

Vibrations