Geometry & MOs

Info

ID:	417731
PubChem CID:	135102619
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	329.093309
ΔH_f, kcal/mol:	33.98
Dipole, Da:	2.5
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-ethoxyphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3CC(C3)C4=CC=NC=C4

DOS

IR

Vibrations