Geometry & MOs

Info

ID:	423467
PubChem CID:	135119553
Reduced:	NSO5C19H29 (1)
Stoich.:	ABC5D19E29 (1)
Weight, g/mol:	347.209658
ΔH_f, kcal/mol:	-212.48
Dipole, Da:	8.03
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(5-methylhexanoyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=C(C=C(C(=C3)OC)C)OC)O

DOS

IR

Vibrations