Geometry & MOs

Info

ID:

305124

PubChem CID:

124766554

Reduced:

ClSN3O6H20C25 (1)

Stoich.:

ABC3D6E20F25 (1)

Weight, g/mol:

476.409027

ΔHf, kcal/mol:

-36.92

Dipole, Da:

3.78

IP(EA), eV:

 -9.2(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

(1R)-1-[6-[(1S)-5-(diethylcarbamoyl)-1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl]hexyl]-N,N-diethyl-1-methyl-3,6-dihydro-2H-pyridin-1-ium-5-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@@H]([C@H]1SC3=CC=CC=C3[N+](=O)[O-])Cl)C4=C(C(=CC=C4)C(=O)O)N[C@@H]2C5=CC(=CC=C5)[N+](=O)[O-]

DOS

IR

Vibrations