Geometry & MOs

Info

ID:	40777
PubChem CID:	8144684
Reduced:	O2S2N4C12H17 (1)
Stoich.:	A2B2C4D12E17 (1)
Weight, g/mol:	338.117452
ΔH_f, kcal/mol:	15.24
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.802696
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC2=NN(C(=S)O2)C[NH+]3CCOCC3

DOS

IR

Vibrations