Geometry & MOs

Info

ID:

412429

PubChem CID:

135085322

Reduced:

O4F24H26C41 (1)

Stoich.:

A4B24C26D41 (1)

Weight, g/mol:

993.22711

ΔHf, kcal/mol:

-1391.67

Dipole, Da:

1.42

IP(EA), eV:

 -11.08(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

chlororuthenium(1+);nitroxyl anion;(3Z)-3-[[[(1S,2S)-2-[[(Z)-[3-oxo-4-(2-phenylnaphthalen-1-yl)naphthalen-2-ylidene]methyl]amino]cyclohexyl]amino]methylidene]-1-(2-phenylnaphthalen-1-yl)naphthalen-2-one

Drug info:

PubChemData

Smile

CCC1(O[C@H]([C@@H](O1)C(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C(C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)(C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O)CC

DOS

IR

Vibrations