Geometry & MOs

Info

ID:

15663

PubChem CID:

447061

Reduced:

MgN4O6C41H54 (1)

Stoich.:

AB4C6D41E54 (1)

Weight, g/mol:

722.389377

ΔHf, kcal/mol:

-274.71

Dipole, Da:

5.9

IP(EA), eV:

 -7.2(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

magnesium;methyl (3R,11R,12R,21S,22S)-16-acetyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-(3-methylpentoxy)-3-oxopropyl]-7,23,24,25-tetrazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-2(6),4,13,15,17,19-hexaene-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H](C2=CC3=C(C(=C([N-]3)C=C4[C@H]([C@@H](C([N-]4)C5=C6C(=C([C@@H]5C(=O)OC)O)C(C([N-]6)CC1[N-]2)C)CCC(=O)OCCC(C)CC)C)C)C(=O)C)C.[Mg+2]

DOS

IR

Vibrations