Geometry & MOs

Info

ID:	419622
PubChem CID:	135108557
Reduced:	ON2S2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	23.24
Dipole, Da:	3.2
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(3,5-dimethylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1CSCC(=O)N(CC2=NC=CS2)C3CC3

DOS

IR

Vibrations