Geometry & MOs

Info

ID:	404109
PubChem CID:	135064976
Reduced:	ClSN2O3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	-54.78
Dipole, Da:	2.1
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-ethyl-2-oxopiperidin-3-yl)prop-2-enal

Drug info:

PubChemData

Smile

CN(C(=NC1=CC=C(C=C1)Cl)C(=O)C2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations