Geometry & MOs

Info

ID:	250161
PubChem CID:	103094573
Reduced:	ClO2N3H6C12 (1)
Stoich.:	AB2C3D6E12 (1)
Weight, g/mol:	241.991676
ΔH_f, kcal/mol:	8.58
Dipole, Da:	2.81
IP(EA), eV:	-9.68(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropyridin-2-yl)thiomorpholine-3,5-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C(=O)N(C2=O)C3=C(C=CC=N3)Cl)N=C1

DOS

IR

Vibrations