Geometry & MOs

Info

ID:	418045
PubChem CID:	135103378
Reduced:	ClNSO5C15H20 (1)
Stoich.:	ABCD5E15F20 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-214.03
Dipole, Da:	2.6
IP(EA), eV:	-10.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(1-benzothiophene-3-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)S(=O)(=O)C2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations