Geometry & MOs

Info

ID:

215692

PubChem CID:

85085094

Reduced:

S2N10O13C59H72 (1)

Stoich.:

A2B10C13D59E72 (1)

Weight, g/mol:

1205.07312

ΔHf, kcal/mol:

-513.29

Dipole, Da:

10.46

IP(EA), eV:

 -8.96(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tripotassium;7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-oxo-3-(3-sulfonatopropylamino)propyl]-N-(3-sulfonatopropyl)-12-[1-(3-sulfonatopropylamino)ethylidene]porphyrin-24-ide-2-carboximidate;palladium(2+)

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CS)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CS)NC(=O)C)N(C)C(=O)C4=CC5=CC=CC=C5C=C4)O

DOS

IR

Vibrations