Geometry & MOs

Info

ID:

1357

PubChem CID:

4232

Reduced:

N2O4H15C24 (2)

Stoich.:

A2B4C15D24 (2)

Weight, g/mol:

790.206364

ΔHf, kcal/mol:

31.74

Dipole, Da:

15.42

IP(EA), eV:

 -8.59(-2.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10,15-bis(4-carboxyphenyl)-20-[4-(dihydroxymethylidene)cyclohexa-2,5-dien-1-ylidene]-23H-porphyrin-5-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(O)O)C=CC1=C2C3=NC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)C=C3

DOS

IR

Vibrations