Geometry & MOs

Info

ID:	305985
PubChem CID:	124997691
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	409.247775
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	5.62
IP(EA), eV:	-8.68(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC[C@@H](C1)C2=CC(=NC=C2)NC

DOS

IR

Vibrations