Geometry & MOs

Info

ID:	242986
PubChem CID:	99214828
Reduced:	SCl2O2N3C17H21 (1)
Stoich.:	AB2C2D3E17F21 (1)
Weight, g/mol:	412.075676
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	5.93
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(2,3-dichlorophenoxy)ethyl]-2-(4-fluorophenyl)morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)NCCOC1=C(C(=CC=C1)Cl)Cl)C2=CSC=C2

DOS

IR

Vibrations