Geometry & MOs

Info

ID:

16981

PubChem CID:

481555

Reduced:

MnN4Cl8H20C44 (1)

Stoich.:

AB4C8D20E44 (1)

Weight, g/mol:

942.851761

ΔHf, kcal/mol:

383.46

Dipole, Da:

3.47

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 5.012516

Charge, e:

 0

Chem-info

IUPAC name:

manganese(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)porphyrin-22,23-diide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C=CC=C7Cl)Cl)C8=C(C=CC=C8Cl)Cl)C9=C(C=CC=C9Cl)Cl)[N-]3)Cl.[Mn+2]

DOS

IR

Vibrations