Geometry & MOs

Info

ID:	204442
PubChem CID:	79966401
Reduced:	SN2O2C9H12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-34.59
Dipole, Da:	1.33
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminopyridin-4-yl)-1-(1,4-oxathian-2-yl)ethanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C(=O)C2CSCCO2

DOS

IR

Vibrations