Geometry & MOs

Info

ID:

145299

PubChem CID:

53494429

Reduced:

ON6C14H16 (1)

Stoich.:

AB6C14D16 (1)

Weight, g/mol:

1165.516345

ΔHf, kcal/mol:

44.35

Dipole, Da:

10.28

IP(EA), eV:

-9.19(-0.83)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

sodium;3-[13-[1-[1-[8,12-bis(2-carboxyethyl)-17-ethenyl-3,7,13,18-tetramethyl-21,24-dihydroporphyrin-2-yl]ethoxy]ethyl]-18-(2-carboxyethyl)-8-ethenyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CNCCNC1=NC(=O)C=C(N1)C2=CNC3=C2C=CC=N3

DOS

IR

Vibrations