Geometry & MOs

Info

ID:

312832

PubChem CID:

126609052

Reduced:

SN4H32C50 (1)

Stoich.:

AB4C32D50 (1)

Weight, g/mol:

646.193966

ΔHf, kcal/mol:

267.49

Dipole, Da:

4.27

IP(EA), eV:

 -8.32(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(9-phenylcarbazol-1-yl)-5-[9-(6-pyridin-3-ylpyridin-2-yl)carbazol-3-yl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=NN=C(S5)C6=CC=CC7=C6N(C8=CC=CC=C78)C9=CC=CC(=C9)C1=CC=CC=C1)C1=CC=CC=C13

DOS

IR

Vibrations