Geometry & MOs

Info

ID:

408260

PubChem CID:

135081023

Reduced:

NS2O4C8H11 (1)

Stoich.:

AB2C4D8E11 (1)

Weight, g/mol:

720.003559

ΔHf, kcal/mol:

-89.95

Dipole, Da:

5.13

IP(EA), eV:

-9.13(-1.41)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

zinc;5,8,14,17,23,26,32,35-octafluoro-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

Drug info:

PubChemData

Smile

CCOC(=O)C(=C1SCCCS1)[N+](=O)[O-]

DOS

IR

Vibrations