Geometry & MOs

Info

ID:	178309
PubChem CID:	76310163
Reduced:	ON2S2H12C15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	586.247747
ΔH_f, kcal/mol:	22.79
Dipole, Da:	5.68
IP(EA), eV:	-8.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(N-(1-acetylpiperidine-4-carbonyl)-3-chloroanilino)propyl]-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)N/C(=C\C4=NC(=O)CS4)/S2

DOS

IR

Vibrations