Geometry & MOs

Info

ID:	414638
PubChem CID:	135087597
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-113.8
Dipole, Da:	6.37
IP(EA), eV:	-9.49(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(4-carboxybutanoyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC3=CC=CC=C3C=N2

DOS

IR

Vibrations