Geometry & MOs

Info

ID:

404462

PubChem CID:

135066418

Reduced:

InN8Cl17C32 (1)

Stoich.:

AB8C17D32 (1)

Weight, g/mol:

2062.851992

ΔHf, kcal/mol:

302.73

Dipole, Da:

3.75

IP(EA), eV:

-8.56(-2.76)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

copper;5,8,14,17,23,26,32,35-octafluoro-6,7,15,16,24,25,33,34-octakis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19(39),20,22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Drug info:

PubChemData

Smile

C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C3=NC2=NC4=C5C(=C6N4[In](N7C(=N3)C8=C(C7=NC9=NC(=N6)C1=C9C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(C(=C8Cl)Cl)Cl)Cl)Cl)C(=C(C(=C5Cl)Cl)Cl)Cl

DOS

IR

Vibrations