Geometry & MOs

Info

ID:	367043
PubChem CID:	127323000
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	393.152241
ΔH_f, kcal/mol:	-117.03
Dipole, Da:	2.11
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-fluorophenyl)methyl]-5-oxo-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)thiomorpholine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations