Geometry & MOs

Info

ID:	361086
PubChem CID:	127301976
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	17.0
Dipole, Da:	6.39
IP(EA), eV:	-8.73(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfonyl)-N-[(1-ethylpiperidin-2-yl)methyl]piperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCCCC1CNC(=O)C2=CSC(=N2)C3=CN(N=C3)C

DOS

IR

Vibrations