Geometry & MOs

Info

ID:	41541
PubChem CID:	8146210
Reduced:	ON4C18H20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	365.120941
ΔH_f, kcal/mol:	42.07
Dipole, Da:	0.7
IP(EA), eV:	-8.9(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[[5-(4-fluorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)CN2C3=CC=CC=C3N=N2

DOS

IR

Vibrations