Geometry & MOs

Info

ID:	422379
PubChem CID:	135117718
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	343.108959
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	7.98
IP(EA), eV:	-9.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(5-methoxy-2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CN1C2=CC(=O)N=C(N2)N)O)CC3=CC=NC=C3

DOS

IR

Vibrations