Geometry & MOs

Info

ID:	318733
PubChem CID:	126652977
Reduced:	NOH29C50 (1)
Stoich.:	ABC29D50 (1)
Weight, g/mol:	625.186421
ΔH_f, kcal/mol:	221.76
Dipole, Da:	2.37
IP(EA), eV:	-8.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=CC5=C4N=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8C79C1=CC=CC=C1C1=C9C2=CC=CC=C2O1

DOS

IR

Vibrations