Geometry & MOs

Info

ID:	128451
PubChem CID:	51044744
Reduced:	ClON3H8C12 (1)
Stoich.:	ABC3D8E12 (1)
Weight, g/mol:	394.075406
ΔH_f, kcal/mol:	32.09
Dipole, Da:	4.85
IP(EA), eV:	-9.03(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-[4-oxo-6-(thiomorpholin-4-ylmethyl)pyran-3-yl]oxyacetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)C(=CN2)/C=C(\C#N)/C(=O)N

DOS

IR

Vibrations