Geometry & MOs

Info

ID:	126032
PubChem CID:	50949049
Reduced:	OSN3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	30.92
Dipole, Da:	5.3
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-4-hydroxy-1-[4-(2-methylprop-2-enoxy)benzoyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CSC(=C2)C3=C(N=CN3CCO)C4=CC=CC=C4

DOS

IR

Vibrations