Geometry & MOs

Info

ID:

1744

PubChem CID:

4972

Reduced:

CoN4O4H32C34 (1)

Stoich.:

AB4C4D32E34 (1)

Weight, g/mol:

619.175549

ΔHf, kcal/mol:

61.75

Dipole, Da:

35.25

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 3.263596

Charge, e:

0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,23-diid-2-yl]propanoic acid;cobalt(2+)

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)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)O.[Co+2]

DOS

IR

Vibrations