Geometry & MOs

Info

ID:

954

PubChem CID:

3578

Reduced:

N4O6C49H58 (1)

Stoich.:

A4B6C49D58 (1)

Weight, g/mol:

798.435636

ΔHf, kcal/mol:

-59.0

Dipole, Da:

10.26

IP(EA), eV:

 -8.41(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-7-ethenyl-17-(hydroxymethylidene)-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienyl)-3,8,13-trimethyl-22H-porphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=CC3=NC(=CC4=C(C(=CO)C(=N4)C=C5C(=C(C(=N5)C=C1N2)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)CCC(=O)O)C(=C3C)CCC(=O)O)C=C

DOS

IR

Vibrations