Geometry & MOs

Info

ID:

389111

PubChem CID:

134991188

Reduced:

RuN2O3H46C61 (1)

Stoich.:

AB2C3D46E61 (1)

Weight, g/mol:

369.99598

ΔHf, kcal/mol:

377.32

Dipole, Da:

3.7

IP(EA), eV:

 -7.72(-2.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dibromo-[(1R,2R,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]borane;methylsulfanylmethane

Drug info:

PubChemData

Smile

[C]=O.C1CCC([C@H](C1)N/C=C\2/C=C3C=CC=CC3=C(C2=O)C4=C(C=CC5=CC=CC=C54)C6=CC=CC=C6)N/C=C\7/C=C8C=CC=CC8=C(C7=O)C9=C(C=CC1=CC=CC=C19)C1=CC=CC=C1.[Ru]

DOS

IR

Vibrations