Geometry & MOs

Info

ID:

180375

PubChem CID:

76623676

Reduced:

IrF2N3H18C26 (1)

Stoich.:

AB2C3D18E26 (1)

Weight, g/mol:

699.226234

ΔHf, kcal/mol:

192.17

Dipole, Da:

28.77

IP(EA), eV:

 -8.34(-3.84)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-[4-[4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoyloxy]butanoyloxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate

Drug info:

PubChemData

Smile

[CH-]1N(C=CN1C2=CC=CC=[C-]2)C3=CC=CC=C3.C1=CC=NC(=C1)C2=C(C=C(C=[C-]2)F)F.[Ir+3]

DOS

IR

Vibrations