Geometry & MOs

Info

ID:	28128
PubChem CID:	825754
Reduced:	ClN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	189.942618
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	3.47
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-methylsulfanyl-1,3-thiazole-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OCC(=O)NN=CC2=CC=CO2

DOS

IR

Vibrations