Geometry & MOs

Info

ID:	33612
PubChem CID:	7887197
Reduced:	FNSO3H12C17 (1)
Stoich.:	ABCD3E12F17 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-101.72
Dipole, Da:	5.32
IP(EA), eV:	-9.11(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(S2)C(=O)OCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations