Geometry & MOs

Info

ID:	41550
PubChem CID:	8146249
Reduced:	SN3O4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-89.24
Dipole, Da:	5.43
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817795
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations