Geometry & MOs

Info

ID:	328630
PubChem CID:	126726121
Reduced:	S2N3O4H13C25 (1)
Stoich.:	A2B3C4D13E25 (1)
Weight, g/mol:	511.156577
ΔH_f, kcal/mol:	56.98
Dipole, Da:	3.52
IP(EA), eV:	-8.7(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-formyloxy-6-[4-[2-(4-hexylthiophen-2-yl)ethynyl]pyridin-2-yl]pyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C#CC2=CC3=C(S2)C=CS3)C4=NC(=CC(=C4)OC=O)C5=NC=CC(=C5)OC=O

DOS

IR

Vibrations