Geometry & MOs

Info

ID:	60514
PubChem CID:	26697118
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	354.155512
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	1.27
IP(EA), eV:	-8.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC

DOS

IR

Vibrations