Geometry & MOs

Info

ID:	40917
PubChem CID:	8144954
Reduced:	SO2N5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	382.099215
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	2.27
IP(EA), eV:	-8.36(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 1-[[5-(4-chlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CN2C(=S)N3C(=CC(=NC3=N2)C)C

DOS

IR

Vibrations