Geometry & MOs

Info

ID:	415898
PubChem CID:	135088900
Reduced:	ClSN2O3C15H21 (1)
Stoich.:	ABC2D3E15F21 (1)
Weight, g/mol:	303.042899
ΔH_f, kcal/mol:	-131.96
Dipole, Da:	4.9
IP(EA), eV:	-9.17(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2,6-dichlorophenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCNCC2)OC[C@@H]1O)NC(=O)C3=C(C=CS3)Cl

DOS

IR

Vibrations