Geometry & MOs

Info

ID:

316955

PubChem CID:

126632143

Reduced:

FN5O6C30H40 (1)

Stoich.:

AB5C6D30E40 (1)

Weight, g/mol:

1247.31501

ΔHf, kcal/mol:

-276.9

Dipole, Da:

4.9

IP(EA), eV:

 -9.53(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-dibenzothiophen-3-yl-9-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)-6-[4-(2-dibenzothiophen-3-ylcarbazol-9-yl)naphthalen-1-yl]pyrimidin-2-yl]carbazole

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C=CC(=C2F)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)NC(C)C(=O)N3CCC[C@H](N3)C(=O)O)C=C1)O

DOS

IR

Vibrations