Geometry & MOs

Info

ID:

298228

PubChem CID:

117648085

Reduced:

NSH29C46 (1)

Stoich.:

ABC29D46 (1)

Weight, g/mol:

719.264671

ΔHf, kcal/mol:

196.92

Dipole, Da:

5.77

IP(EA), eV:

 -8.31(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5,7,7-trimethyl-9-[10-(4-phenylphenyl)anthracen-9-yl]fluoreno[4,3-b][1]benzothiol-2-yl]pyridine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=CC8=CC=CC=C87)C9=C(C=C2)C1=C(S9)C=C(C=C1)C#N)C

DOS

IR

Vibrations