Geometry & MOs

Info

ID:	40307
PubChem CID:	8143906
Reduced:	SN3O3C15H20 (1)
Stoich.:	AB3C3D15E20 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	4.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.803260
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3)OC

DOS

IR

Vibrations