Geometry & MOs

Info

ID:	155294
PubChem CID:	56352880
Reduced:	S2N3O3H19C20 (1)
Stoich.:	A2B3C3D19E20 (1)
Weight, g/mol:	441.244999
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	8.83
IP(EA), eV:	-9.01(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[butyl(ethyl)amino]benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)SC3=CC=CC=N3)S(=O)(=O)N

DOS

IR

Vibrations