Geometry & MOs

Info

ID:

320309

PubChem CID:

126659453

Reduced:

NOI2C23H27 (1)

Stoich.:

ABC2D23E27 (1)

Weight, g/mol:

1470.43391

ΔHf, kcal/mol:

15.3

Dipole, Da:

3.34

IP(EA), eV:

 -8.87(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,24-dibromo-15,15,30-tris(4-dodecylphenyl)-30-(4-methylphenyl)-5,8,12,20,23,27-hexathianonacyclo[16.12.0.03,16.04,14.06,13.07,11.019,29.021,28.022,26]triaconta-1(18),2,4(14),6(13),7(11),9,16,19(29),21(28),22(26),24-undecaene

Drug info:

PubChemData

Smile

CCCC1(CCN(C1)CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)CI)CI

DOS

IR

Vibrations