Geometry & MOs

Info

ID:

317063

PubChem CID:

126632393

Reduced:

SN6O7C37H52 (1)

Stoich.:

AB6C7D37E52 (1)

Weight, g/mol:

1390.465146

ΔHf, kcal/mol:

-253.34

Dipole, Da:

9.01

IP(EA), eV:

 -9.15(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-dibenzofuran-2-yl-9-[4-(3-dibenzofuran-2-ylcarbazol-9-yl)-6-[7-(3-dibenzofuran-2-ylcarbazol-9-yl)-9,9-diphenylfluoren-2-yl]pyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@H](N1)C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)C2(CCN(CC2)S(=O)(=O)CC3CC3)/C=C/C4=CC5=C(C=C4)C=CC(=N5)C(C)C

DOS

IR

Vibrations