Geometry & MOs

Info

ID:	245478
PubChem CID:	99445161
Reduced:	SCl2N2O3H10C14 (1)
Stoich.:	AB2C2D3E10F14 (1)
Weight, g/mol:	441.002691
ΔH_f, kcal/mol:	5.84
Dipole, Da:	3.35
IP(EA), eV:	-9.03(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(R)-(2,6-dichlorophenyl)methylsulfinyl]methyl]-2-(2,4-dimethoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C[S@](=O)CC2=NC(=NO2)C3=CC=CO3)Cl

DOS

IR

Vibrations