Geometry & MOs

Info

ID:

125619

PubChem CID:

50930216

Reduced:

ZnN4O5C34H35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

579.260745

ΔHf, kcal/mol:

-82.05

Dipole, Da:

7.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.075065

Charge, e:

 -1

Chem-info

IUPAC name:

3-[18-(2-carboxyethyl)-13-ethenyl-8-ethyl-3,7,12,17-tetramethyl-22-oxido-23H-porphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C2C=C3C(=C(C(=CC4=NC(=CC5=NC(=CC(=C1C)N2[O-])C(=C5CCC(=O)O)C)C(=C4C)CCC(=O)O)N3)C=C)C.[Zn+2]

DOS

IR

Vibrations