Geometry & MOs

Info

ID:

381114

PubChem CID:

134971761

Reduced:

RuC2H5O5 (1)

Stoich.:

AB2C5D5 (1)

Weight, g/mol:

199.084458

ΔHf, kcal/mol:

-64.28

Dipole, Da:

1.57

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.670648

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6S)-6-ethoxy-6H-oxazine-3-carboxylate

Drug info:

PubChemData

Smile

[CH2-]CO.O=[Ru](=O)(=O)=O

DOS

IR

Vibrations