Geometry & MOs

Info

ID:	134117
PubChem CID:	51645254
Reduced:	ClSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	450.196371
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-1-oxo-3-phenyl-1-spiro[1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-4,4'-piperidine]-1'-ylpropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)OC)SC2=NN=C(N2CCCOC)C3=CC=CC=C3Cl

DOS

IR

Vibrations