Geometry & MOs

Info

ID:

125640

PubChem CID:

50930839

Reduced:

MgN5O5C63H93 (1)

Stoich.:

AB5C5D63E93 (1)

Weight, g/mol:

1004.635362

ΔHf, kcal/mol:

-278.59

Dipole, Da:

5.7

IP(EA), eV:

 -6.91(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

magnesium;[(E)-3,7,11,15-tetramethylhexadec-2-enyl] 3-[(12E)-8-ethenyl-13-ethyl-20-(2-methoxy-2-oxoethyl)-3,7,17-trimethyl-12-[(prop-2-enylamino)methylidene]-18-(prop-2-enylcarbamoyl)-3,22-dihydro-2H-porphyrin-2-yl]propanoate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1=C(C2=NC1=C(C3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)CC)C)C=C)C)C(C3CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)CC(=O)OC)C.[Mg+2]

DOS

IR

Vibrations