Geometry & MOs

Info

ID:	35168
PubChem CID:	7979411
Reduced:	NO2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-106.5
Dipole, Da:	2.54
IP(EA), eV:	-8.47(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)OC[C@@H](CN2CCN(CC2)CC3=CC=CC=C3)O

DOS

IR

Vibrations