Geometry & MOs

Info

ID:

15536

PubChem CID:

443442

Reduced:

MgN4O5C55H70 (1)

Stoich.:

AB4C5D55E70 (1)

Weight, g/mol:

890.519663

ΔHf, kcal/mol:

-151.08

Dipole, Da:

8.61

IP(EA), eV:

 -7.79(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;methyl (3R,21S,22S)-11,16-bis(ethenyl)-12,17,21,26-tetramethyl-4-oxo-22-[3-oxo-3-[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](C2=C3[C@H](C(=O)C4=C3[N-]C(=C4C)C=C5C(=C(C(=N5)C=C6C(=C(C(=CC1=N2)[N-]6)C)C=C)C)C=C)C(=O)OC)CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C.[Mg+2]

DOS

IR

Vibrations