Geometry & MOs

Info

ID:

412269

PubChem CID:

135085153

Reduced:

SO2N6C41H48 (1)

Stoich.:

AB2C6D41E48 (1)

Weight, g/mol:

854.303108

ΔHf, kcal/mol:

52.89

Dipole, Da:

4.84

IP(EA), eV:

 -8.59(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ide;dichloro-[[2-propan-2-yloxy-5-[3-[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]propyl]phenyl]methylidene]ruthenium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3C[C@@H]4CCN3C[C@@H]4C=C)NC(=S)N[C@H](C5C[C@@H]6CCN5C[C@@H]6C=C)C7=C8C=C(C=CC8=NC=C7)OC

DOS

IR

Vibrations