Geometry & MOs

Info

ID:	417710
PubChem CID:	135102533
Reduced:	ClN3O4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	5.06
IP(EA), eV:	-9.46(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)CNC3=NOC(=C3C(=O)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations