Geometry & MOs

Info

ID:	40243
PubChem CID:	8143800
Reduced:	SN3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-14.88
Dipole, Da:	10.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779182
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-methoxyphenoxy)methyl]-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCC2=NN(C(=S)O2)C[NH+]3CCCC3

DOS

IR

Vibrations