Geometry & MOs

Info

ID:	69451
PubChem CID:	47177787
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	291.067762
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	6.9
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC=CC=C3C2

DOS

IR

Vibrations