Geometry & MOs

Info

ID:	369444
PubChem CID:	127333406
Reduced:	FN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	396.138675
ΔH_f, kcal/mol:	-187.36
Dipole, Da:	1.44
IP(EA), eV:	-8.74(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-thiomorpholin-4-ylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)NC2=CC(=CC(=C2)F)N3CCOCC3)O

DOS

IR

Vibrations