Geometry & MOs

Info

ID:	204483
PubChem CID:	79969987
Reduced:	OSN3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	242.054755
ΔH_f, kcal/mol:	-22.04
Dipole, Da:	2.72
IP(EA), eV:	-8.52(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dithian-2-yl-(1-ethylimidazol-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=N)C2CSCCO2

DOS

IR

Vibrations