Geometry & MOs

Info

ID:

318735

PubChem CID:

126652985

Reduced:

OH32C55 (1)

Stoich.:

AB32C55 (1)

Weight, g/mol:

626.18167

ΔHf, kcal/mol:

270.66

Dipole, Da:

1.35

IP(EA), eV:

 -8.3(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7'-(10-pyridin-2-ylanthracen-9-yl)spiro[indeno[1,2-b][1]benzothiole-10,5'-indeno[1,2-b]pyridine]

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=CC7=C(C=C6)C8=C(C79C1=CC=CC=C1C1=C9C2=CC=CC=C2O1)C=CC1=CC=CC=C18

DOS

IR

Vibrations