Geometry & MOs

Info

ID:	36599
PubChem CID:	8009363
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	405.151098
ΔH_f, kcal/mol:	-168.36
Dipole, Da:	5.31
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-(4-methylphenyl)-N-(3-methylpyridin-2-yl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)COC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations