Geometry & MOs

Info

ID:

390515

PubChem CID:

134999517

Reduced:

FeNSO3H15C16 (1)

Stoich.:

ABCD3E15F16 (1)

Weight, g/mol:

688.061762

ΔHf, kcal/mol:

141.18

Dipole, Da:

24.14

IP(EA), eV:

-7.04(-3.68)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[3-[2-[2-[2-(5-acetyl-4-methyl-1,3-thiazol-3-ium-3-yl)ethoxy]ethoxy]ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanone;dihexafluorophosphate

Drug info:

PubChemData

Smile

CCO/C(=C\1/C(=O)N=C(S1)[C]2[CH][CH][CH][CH]2)/O.[CH]1[CH][CH][CH][CH]1.[Fe]

DOS

IR

Vibrations