Geometry & MOs

Info

ID:

84509

PubChem CID:

49867088

Reduced:

N2P2O8C13H20 (1)

Stoich.:

A2B2C8D13E20 (1)

Weight, g/mol:

620.172206

ΔHf, kcal/mol:

-443.78

Dipole, Da:

3.39

IP(EA), eV:

 -8.83(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(8E,13S)-18-(2-carboxyethyl)-13-ethenyl-8-(hydroxymethylidene)-3,7,12,17-tetramethyl-13H-porphyrin-21,22,23,24-tetraid-2-yl]propanoic acid;iron(4+)

Drug info:

PubChemData

Smile

CC1=NC=C(/C(=C\NC2(CCCC2)P(=O)(O)O)/C1=O)COP(=O)(O)O

DOS

IR

Vibrations