Geometry & MOs

Info

ID:	64542
PubChem CID:	29202803
Reduced:	SN2O5C13H20 (1)
Stoich.:	AB2C5D13E20 (1)
Weight, g/mol:	421.014403
ΔH_f, kcal/mol:	-156.27
Dipole, Da:	8.72
IP(EA), eV:	-9.52(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-phenylpropanamide

Drug info:

PubChemData

Smile

CN(OC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NCCCOC

DOS

IR

Vibrations