Geometry & MOs

Info

ID:	285386
PubChem CID:	104104098
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	269.072179
ΔH_f, kcal/mol:	-79.51
Dipole, Da:	3.35
IP(EA), eV:	-9.31(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonylphenyl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CCCNC(=O)C2=CC=CS2

DOS

IR

Vibrations