Geometry & MOs

Info

ID:	145511
PubChem CID:	53536725
Reduced:	SN2F3O4H11C12 (1)
Stoich.:	AB2C3D4E11F12 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-266.43
Dipole, Da:	4.85
IP(EA), eV:	-10.74(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C(=O)NS(=O)(=O)C1=C(C=C(C=C1)C#N)C(F)(F)F)OC

DOS

IR

Vibrations