Geometry & MOs

Info

ID:	328631
PubChem CID:	126726122
Reduced:	SN3O4H25C29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	521.137556
ΔH_f, kcal/mol:	2.09
Dipole, Da:	3.57
IP(EA), eV:	-8.97(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[4-(2-anthracen-9-ylethynyl)pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

CCCCCCC1=CSC(=C1)C#CC2=CC(=NC=C2)C3=NC(=CC(=C3)OC=O)C4=NC=CC(=C4)OC=O

DOS

IR

Vibrations