Geometry & MOs

Info

ID:

15526

PubChem CID:

443252

Reduced:

N2O8C21H24 (2)

Stoich.:

A2B8C21D24 (2)

Weight, g/mol:

864.306531

ΔHf, kcal/mol:

-684.01

Dipole, Da:

12.41

IP(EA), eV:

 -8.13(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(7S,8S,12S,13S)-7,12,18-tris(2-carboxyethyl)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-2,3,7,12,22,24-hexahydroporphyrin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](C2=CC3=NC(=CC4=C(C(=C(N4)C=C5[C@@]([C@@H](C(=N5)C=C1N2)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O)C(C3CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O

DOS

IR

Vibrations