Geometry & MOs

Info

ID:

59786

PubChem CID:

24897125

Reduced:

MnS2N4F6O6C16H24 (1)

Stoich.:

AB2C4D6E6F16G24 (1)

Weight, g/mol:

324.147393

ΔHf, kcal/mol:

-387.56

Dipole, Da:

12.4

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.875686

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1S,2R,12S,13R)-19-oxo-10,16-diazapentacyclo[11.5.1.02,16.03,11.04,9]nonadeca-3(11),4,6,8-tetraene-12-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CCN(CC1)CC2=CC=CC=N2)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Mn+2]

DOS

IR

Vibrations