Geometry & MOs

Info

ID:	295565
PubChem CID:	117534335
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	247.077933
ΔH_f, kcal/mol:	-32.3
Dipole, Da:	3.88
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)-5-pyridin-2-yl-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=C(SC(=N1)NC)C2CCCCC2

DOS

IR

Vibrations