Geometry & MOs

Info

ID:

431519

PubChem CID:

135171600

Reduced:

ClF2O2H11C18 (1)

Stoich.:

AB2C2D11E18 (1)

Weight, g/mol:

820.218449

ΔHf, kcal/mol:

-119.7

Dipole, Da:

4.18

IP(EA), eV:

 -9.07(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-(15,19-dioxa-4-thiaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaen-23-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=C(C=C2F)C3=C(C=CC(=C3)Cl)O)F)O

DOS

IR

Vibrations