Geometry & MOs

Info

ID:	328878
PubChem CID:	126728624
Reduced:	SN3O4H17C27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	485.050398
ΔH_f, kcal/mol:	-5.36
Dipole, Da:	4.91
IP(EA), eV:	-8.91(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)/C=C/C3=CC(=NC=C3)C4=NC(=CC(=C4)C(=O)O)C5=NC=CC(=C5)C(=O)O

DOS

IR

Vibrations