Geometry & MOs

Info

ID:

16980

PubChem CID:

481548

Reduced:

MnS4N8O8C56H56 (1)

Stoich.:

AB4C8D8E56F56 (1)

Weight, g/mol:

1151.248439

ΔHf, kcal/mol:

25.08

Dipole, Da:

6.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 4.306652

Charge, e:

 0

Chem-info

IUPAC name:

manganese(2+);2,4,6-trimethyl-3-[10,15,20-tris(2,4,6-trimethyl-3-sulfamoylphenyl)porphyrin-22,23-diid-5-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=C(C(=C(C=C7C)C)S(=O)(=O)N)C)C8=C(C(=C(C=C8C)C)S(=O)(=O)N)C)C9=C(C(=C(C=C9C)C)S(=O)(=O)N)C)[N-]3)C)S(=O)(=O)N)C.[Mn+2]

DOS

IR

Vibrations