Geometry & MOs

Info

ID:

234531

PubChem CID:

92298621

Reduced:

ClO3N4H27C31 (1)

Stoich.:

AB3C4D27E31 (1)

Weight, g/mol:

599.91433

ΔHf, kcal/mol:

69.64

Dipole, Da:

6.99

IP(EA), eV:

 -9.02(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

15,30-dibromo-2,17-diazoniaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(30),2,4(13),6,8,10,14,16,18,21,23,25,28-tridecaene-5,12,20,27-tetrone

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)[C@@H]4[C@@H](C([C@H]5N4C6=CC=CC=C6C=C5)(C#N)C#N)C7=CC(=C(C=C7)Cl)[N+](=O)[O-]

DOS

IR

Vibrations