Geometry & MOs

Info

ID:	13836
PubChem CID:	399290
Reduced:	ClS2O3N4H19C21 (1)
Stoich.:	AB2C3D4E19F21 (1)
Weight, g/mol:	474.058711
ΔH_f, kcal/mol:	-3.15
Dipole, Da:	8.7
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] morpholine-4-carbodithioate

Drug info:

PubChemData

Smile

C1COCCN1C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations