Geometry & MOs

Info

ID:	157619
PubChem CID:	56436127
Reduced:	SN3O4C22H27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	429.299142
ΔH_f, kcal/mol:	-143.2
Dipole, Da:	4.75
IP(EA), eV:	-8.58(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-1-[2-(3-methylbutanoylamino)-2-phenylacetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(C)C(=O)OC)C(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CN=CC=C3

DOS

IR

Vibrations