Geometry & MOs

Info

ID:	122968
PubChem CID:	50828941
Reduced:	SO2N4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	494.084925
ΔH_f, kcal/mol:	-6.76
Dipole, Da:	4.73
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)NC2=CC=CC=C2)C(=O)NCC3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations