Geometry & MOs

Info

ID:	40778
PubChem CID:	8144688
Reduced:	SN3O4C15H20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	4.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.788534
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCOCC3)OC

DOS

IR

Vibrations