Geometry & MOs

Info

ID:	246968
PubChem CID:	103065854
Reduced:	ClN2C11H17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	272.002241
ΔH_f, kcal/mol:	15.72
Dipole, Da:	1.42
IP(EA), eV:	-9.13(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(chloromethyl)prop-2-enyl]-1,1-dioxo-[1,2]thiazolo[5,4-b]pyridin-3-one

Drug info:

PubChemData

Smile

CCC1=CC(=NN1CC(=C)CCl)CC

DOS

IR

Vibrations