Geometry & MOs

Info

ID:	417418
PubChem CID:	135093624
Reduced:	N3C7H10 (2)
Stoich.:	A3B7C10 (2)
Weight, g/mol:	363.054336
ΔH_f, kcal/mol:	85.78
Dipole, Da:	4.3
IP(EA), eV:	-8.87(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C1=NC=NC(=C1)NCC2=CC(=NN2)C3CC3

DOS

IR

Vibrations