Geometry & MOs

Info

ID:	418058
PubChem CID:	135103444
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	9.0
IP(EA), eV:	-9.22(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations