Geometry & MOs

Info

ID:

412363

PubChem CID:

135085253

Reduced:

FeS2F6N6O6C26H36 (1)

Stoich.:

AB2C6D6E6F26G36 (1)

Weight, g/mol:

669.91017

ΔHf, kcal/mol:

-496.81

Dipole, Da:

6.47

IP(EA), eV:

 -8.14(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(3aR,8bS)-2-[6-[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]pyridin-2-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole;carbanide;dibromoruthenium

Drug info:

PubChemData

Smile

CN(C)C1=CC(=NC=C1)CN2CCCC2C3CCCN3CC4=NC=CC(=C4)N(C)C.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Fe+2]

DOS

IR

Vibrations