Geometry & MOs

Info

ID:

125716

PubChem CID:

50935324

Reduced:

CrSi2O6C15H24 (1)

Stoich.:

AB2C6D15E24 (1)

Weight, g/mol:

838.375657

ΔHf, kcal/mol:

-171.94

Dipole, Da:

3.79

IP(EA), eV:

 -6.93(0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxylatoethyl)-13-ethenyl-8-[(4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl]-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoate;hydron;iron(2+)

Drug info:

PubChemData

Smile

CCOC(=[Cr])C([Si](C)(C)C)[Si](C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations