Geometry & MOs

Info

ID:	361961
PubChem CID:	127304957
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	388.10237
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	4.72
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCN(C1)C(C)(C)CNC(=O)C2=CC3=C(C=C2)OCC(=O)N3

DOS

IR

Vibrations