Geometry & MOs

Info

ID:	416232
PubChem CID:	135089242
Reduced:	SN3O4C17H25 (1)
Stoich.:	AB3C4D17E25 (1)
Weight, g/mol:	374.256943
ΔH_f, kcal/mol:	-149.04
Dipole, Da:	7.0
IP(EA), eV:	-9.61(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-(2-methyl-2-piperidin-1-ylpropyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=C(CCCC3)N=C2

DOS

IR

Vibrations