Geometry & MOs

Info

ID:	40099
PubChem CID:	8143561
Reduced:	SN3O3C15H19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	351.125277
ΔH_f, kcal/mol:	-40.28
Dipole, Da:	6.89
IP(EA), eV:	-8.48(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyrrolidin-1-ylmethyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NN(C(=S)O2)CN3CCCC3)OC

DOS

IR

Vibrations