Geometry & MOs

Info

ID:	60688
PubChem CID:	26697417
Reduced:	ClSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	326.199428
ΔH_f, kcal/mol:	-123.62
Dipole, Da:	4.94
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCNS(=O)(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations