Geometry & MOs

Info

ID:	422519
PubChem CID:	135117974
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	343.108959
ΔH_f, kcal/mol:	-57.05
Dipole, Da:	7.76
IP(EA), eV:	-8.95(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C(=O)N2CCCN(CC2)C(=O)C3=C(NC=C3)C

DOS

IR

Vibrations