Geometry & MOs

Info

ID:

222960

PubChem CID:

85333522

Reduced:

O11C41H62 (1)

Stoich.:

A11B41C62 (1)

Weight, g/mol:

730.302898

ΔHf, kcal/mol:

-556.98

Dipole, Da:

1.37

IP(EA), eV:

 -9.15(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[15-(2-carboxylatoethenyl)-2,3,7,8,12,13,17,18-octaethyl-21,24-dihydroporphyrin-5-yl]prop-2-enoate;nickel(2+)

Drug info:

PubChemData

Smile

CC1C2CCC3(C(C2(CCC1OC4CCC(C(O4)COC(=O)C)OC(=O)C)C)C(CC5C3(CC(C5=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C

DOS

IR

Vibrations