Geometry & MOs

Info

ID:

185298

PubChem CID:

77282532

Reduced:

NaSN2O5H21C22 (1)

Stoich.:

ABC2D5E21F22 (1)

Weight, g/mol:

426.124943

ΔHf, kcal/mol:

-136.28

Dipole, Da:

7.48

IP(EA), eV:

 -6.22(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(1S,9R)-13-ethylidene-11-methyl-5-oxo-6-azatricyclo[7.3.1.02,7]trideca-3,6,10-trien-1-yl]iminomethyl]phenyl] hydrogen sulfate

Drug info:

PubChemData

Smile

C/C=C/1\[C@@H]2CC3=NC(=O)C=CC3[C@]1(CC(=C2)C)N=CC4=CC=CC=C4OS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations