Geometry & MOs

Info

ID:

316521

PubChem CID:

126631123

Reduced:

O3P3N5H58C94 (1)

Stoich.:

A3B3C5D58E94 (1)

Weight, g/mol:

1086.263309

ΔHf, kcal/mol:

248.05

Dipole, Da:

6.02

IP(EA), eV:

 -8.13(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-6-[7-([1]benzothiolo[2,3-b]carbazol-7-yl)-9,9-dimethylfluoren-2-yl]-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P2(=O)C3=CC=CC=C3C4=C2C=C5C(=C4)C6=CC=CC=C6N5C7=CC=CC(=C7)C8=CC(=NC(=N8)C9=CC(=CC=C9)N1C2=CC=CC=C2C2=CC3=C(C=C21)P(=O)(C1=CC=CC=C13)C1=CC=CC=C1)C1=CC(=CC=C1)N1C2=CC=CC=C2C2=CC3=C(C=C21)P(=O)(C1=CC=CC=C13)C1=CC=CC=C1

DOS

IR

Vibrations