Geometry & MOs

Info

ID:

180171

PubChem CID:

76589295

Reduced:

S4N11O15H33C37 (1)

Stoich.:

A4B11C15D33E37 (1)

Weight, g/mol:

852.128136

ΔHf, kcal/mol:

30.52

Dipole, Da:

9.03

IP(EA), eV:

 -8.31(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

copper(1+);4-[10,15,20-tris(4-carboxyphenyl)-23,24-dihydroporphyrin-5-yl]benzoate

Drug info:

PubChemData

Smile

CNC1NC(NC(=O)N1)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C(C=C(C5=C4C=CC(=C5)SOOO)N=NC6=C(C=C(C=C6)N=NC7=CC=C(C=C7)SOOO)S(=O)(=O)O)OC)C(=C3)SOOO

DOS

IR

Vibrations