Geometry & MOs

Info

ID:

411960

PubChem CID:

135084816

Reduced:

N2S2O8C46H75 (2)

Stoich.:

A2B2C8D46E75 (2)

Weight, g/mol:

406.207135

ΔHf, kcal/mol:

-628.4

Dipole, Da:

14.04

IP(EA), eV:

 -8.97(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

carbanide;iron(4+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene;4-pyrrolidin-1-yl-5H-cyclopenta[b]pyridin-5-ide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(O)OOC([C@@H]3CCCN3S(=O)(=O)C4=CC=C(C=C4)CCCCCCCCCCCC)OOC([C@@H]5CCCN5S(=O)(=O)C6=CC=C(C=C6)CCCCCCCCCCCC)OOC([C@@H]7CCCN7S(=O)(=O)C8=CC=C(C=C8)CCCCCCCCCCCC)O

DOS

IR

Vibrations