Geometry & MOs

Info

ID:

15535

PubChem CID:

443425

Reduced:

MgN4O5H34C35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

614.237962

ΔHf, kcal/mol:

-127.99

Dipole, Da:

5.12

IP(EA), eV:

 -7.48(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

magnesium;3-[8,13-bis(ethenyl)-18-(1-hydroxy-3-methoxy-3-oxopropyl)-3,7,12,17-tetramethylporphyrin-22,24-diid-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)C(CC(=O)OC)O)C)C(=C3C)C=C)C=C.[Mg+2]

DOS

IR

Vibrations