Geometry & MOs

Info

ID:	40132
PubChem CID:	8143616
Reduced:	SN3O4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-80.91
Dipole, Da:	7.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.819287
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C2=NN(C(=S)O2)C[NH+]3CCCC3

DOS

IR

Vibrations