Geometry & MOs

Info

ID:	13835
PubChem CID:	399289
Reduced:	S2O3N4C16H18 (1)
Stoich.:	A2B3C4D16E18 (1)
Weight, g/mol:	378.082033
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	1.82
IP(EA), eV:	-8.94(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NN=C(O1)C2=CC=CC=C2)SC(=S)N3CCOCC3

DOS

IR

Vibrations