Geometry & MOs

Info

ID:	415544
PubChem CID:	135088540
Reduced:	O3N5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-131.44
Dipole, Da:	4.36
IP(EA), eV:	-8.78(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC=NC=C2)C(C)C

DOS

IR

Vibrations