Geometry & MOs

Info

ID:

164269

PubChem CID:

74382674

Reduced:

MnN4O8H54C56 (1)

Stoich.:

AB4C8D54E56 (1)

Weight, g/mol:

1141.437067

ΔHf, kcal/mol:

30.06

Dipole, Da:

3.56

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 6.092983

Charge, e:

 3

Chem-info

IUPAC name:

manganese(3+);5,10,15,20-tetrakis[3-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,23-dihydroporphyrin

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6=NC2C=C6)C7=CC(=CC=C7)OCCOC)C=C5)C8=CC(=CC=C8)OCCOC)N4)C9=CC(=CC=C9)OCCOC.[Mn+3]

DOS

IR

Vibrations