Geometry & MOs

Info

ID:	182354
PubChem CID:	76879876
Reduced:	NSF3O5H12C15 (1)
Stoich.:	ABC3D5E12F15 (1)
Weight, g/mol:	288.111007
ΔH_f, kcal/mol:	-279.56
Dipole, Da:	11.32
IP(EA), eV:	-9.27(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-oxopiperidine-3-carbonyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)NC(=O)C=CC2=CC=CO2

DOS

IR

Vibrations