Geometry & MOs

Info

ID:	40992
PubChem CID:	8145079
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-196.5
Dipole, Da:	3.86
IP(EA), eV:	-9.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@H]1[C@H]([C@@H](O[C@@H]2[C@H]1O[C@@H](OC2)C3=CC=CC=C3)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations