Geometry & MOs

Info

ID:	268092
PubChem CID:	103597788
Reduced:	SN2O4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	355.085432
ΔH_f, kcal/mol:	-96.38
Dipole, Da:	6.74
IP(EA), eV:	-9.06(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,6-dichlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC(=O)NCCNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations