Geometry & MOs

Info

ID:	40037
PubChem CID:	8143465
Reduced:	SN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-52.03
Dipole, Da:	9.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818263
Charge, e:	0

Chem-info

IUPAC name:

5-(3,5-dimethoxyphenyl)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC[C@@H]1CCCC[NH+]1CN2C(=S)OC(=N2)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations