Geometry & MOs

Info

ID:	422091
PubChem CID:	135117180
Reduced:	SN2O5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-154.39
Dipole, Da:	3.62
IP(EA), eV:	-9.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(3-methylthiophene-2-carbonyl)-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations