Geometry & MOs

Info

ID:	416902
PubChem CID:	135090745
Reduced:	SN4O4C18H22 (1)
Stoich.:	AB4C4D18E22 (1)
Weight, g/mol:	331.124215
ΔH_f, kcal/mol:	-97.35
Dipole, Da:	3.89
IP(EA), eV:	-9.08(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OCC(=O)N2CCCN(CC2)C(=O)C3=CSC(=N3)N

DOS

IR

Vibrations