Geometry & MOs

Info

ID:	33908
PubChem CID:	7888683
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-142.52
Dipole, Da:	9.56
IP(EA), eV:	-9.34(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations