Geometry & MOs

Info

ID:

408261

PubChem CID:

135081024

Reduced:

ZnF8H8N8C32 (1)

Stoich.:

AB8C8D8E32 (1)

Weight, g/mol:

2113.478161

ΔHf, kcal/mol:

10.31

Dipole, Da:

2.2

IP(EA), eV:

 -7.9(-2.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;4,5,9,10,14,15,19,20-octakis(anthracen-9-ylmethylsulfanyl)-2,7,12,17,21,23-hexaza-22,24-diazanidapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1F)C3=NC4=NC(=NC5=C6C(=CC=C(C6=C([N-]5)N=C7C8=C(C=CC(=C8C(=N7)N=C2[N-]3)F)F)F)F)C9=C(C=CC(=C94)F)F)F.[Zn+2]

DOS

IR

Vibrations