Geometry & MOs

Info

ID:

408229

PubChem CID:

135080991

Reduced:

FSH4Cl5C10 (1)

Stoich.:

ABC4D5E10 (1)

Weight, g/mol:

844.35555

ΔHf, kcal/mol:

-18.89

Dipole, Da:

1.37

IP(EA), eV:

-9.21(-1.03)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

zinc;1-(15,24,33-tritert-butyl-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(37),2,4(9),5,7,10,12(39),13(18),14,16,19,21,23,25,27,29,31(36),32,34-nonadecaen-6-yl)hexan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1F)S/C(=C(\C(=C(Cl)Cl)Cl)/Cl)/Cl

DOS

IR

Vibrations