Geometry & MOs

Info

ID:

15666

PubChem CID:

447080

Reduced:

N4O6C49H60 (1)

Stoich.:

A4B6C49D60 (1)

Weight, g/mol:

800.451286

ΔHf, kcal/mol:

-117.66

Dipole, Da:

9.41

IP(EA), eV:

 -8.26(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-7-ethenyl-17-(hydroxymethylidene)-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8-dienyl]-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@H](CC/C=C(\C)/CC/C=C(\C)/CCCC(C)C)O)C)CCC(=O)O)C(=C3C)CCC(=O)O)C=C

DOS

IR

Vibrations