Geometry & MOs

Info

ID:	285432
PubChem CID:	104104353
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	231.012077
ΔH_f, kcal/mol:	-139.2
Dipole, Da:	6.33
IP(EA), eV:	-8.9(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chlorothiophen-2-yl)-(oxazinan-2-yl)methanone

Drug info:

PubChemData

Smile

C1CCON(C1)C(=O)CSCC(=O)N2CCOCC2

DOS

IR

Vibrations