Geometry & MOs

Info

ID:	33602
PubChem CID:	7887135
Reduced:	NSO3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-103.66
Dipole, Da:	4.14
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)COC(=O)C2=CC3=CC=CC=C3S2)C

DOS

IR

Vibrations