Geometry & MOs

Info

ID:

408046

PubChem CID:

135080801

Reduced:

ClNSO2C10H10 (1)

Stoich.:

ABCD2E10F10 (1)

Weight, g/mol:

1186.944374

ΔHf, kcal/mol:

19.3

Dipole, Da:

6.33

IP(EA), eV:

-9.2(-1.32)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

cobalt(2+);5,14,23,32-tetrafluoro-6,7,15,16,24,25,33,34-octakis(trifluoromethyl)-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

CCS/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/Cl

DOS

IR

Vibrations