Geometry & MOs

Info

ID:	347696
PubChem CID:	127272576
Reduced:	ClN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	398.106706
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	3.87
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]-2-(1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCOC3

DOS

IR

Vibrations