Geometry & MOs

Info

ID:	328601
PubChem CID:	126725899
Reduced:	SN3O4H19C31 (1)
Stoich.:	AB3C4D19E31 (1)
Weight, g/mol:	479.093977
ΔH_f, kcal/mol:	18.71
Dipole, Da:	4.27
IP(EA), eV:	-8.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6-[4-[(E)-2-(1-benzothiophen-2-yl)ethenyl]pyridin-2-yl]-4-formyloxypyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=C(C=C3)/C=C/C4=CC(=NC=C4)C5=NC(=CC(=C5)OC=O)C6=NC=CC(=C6)OC=O

DOS

IR

Vibrations