Geometry & MOs

Info

ID:	165883
PubChem CID:	74609197
Reduced:	ClSN3O5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	383.208316
ΔH_f, kcal/mol:	-116.56
Dipole, Da:	9.51
IP(EA), eV:	-8.98(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(furan-2-carbonyl)-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C=C(C#N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations