Geometry & MOs

Info

ID:

311703

PubChem CID:

126596895

Reduced:

ClF3N4O5H28C31 (1)

Stoich.:

AB3C4D5E28F31 (1)

Weight, g/mol:

566.18167

ΔHf, kcal/mol:

-296.79

Dipole, Da:

5.89

IP(EA), eV:

 -8.99(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-carbazol-9-yl-3-(12,12-dimethyl-5,6-didehydro-3,4-dihydrofluoreno[1,2-b][1]benzothiol-8-yl)benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H](C2=CC(=NC=C2)C3=C(C=C(C=C3)NC(=O)O)NC1=O)N4CCC(=CC4=O)C5=C(C=CC(=C5F)Cl)OC(F)F

DOS

IR

Vibrations