Geometry & MOs

Info

ID:

312831

PubChem CID:

126609051

Reduced:

ON8H32C54 (1)

Stoich.:

AB8C32D54 (1)

Weight, g/mol:

720.234768

ΔHf, kcal/mol:

313.31

Dipole, Da:

5.65

IP(EA), eV:

 -8.5(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-(3-phenylphenyl)carbazol-1-yl]-5-[9-(3-phenylphenyl)carbazol-3-yl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)N4C5=CC=CC=C5C6=C4C=C(C=C6)C7=NN=C(O7)C8=CC9=C(C=C8)C1=CC=CC=C1N9C1=NC2=CC=CC=C2C(=N1)C1=CC=CC=C1

DOS

IR

Vibrations