Geometry & MOs

Info

ID:	423805
PubChem CID:	135120273
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	377.069986
ΔH_f, kcal/mol:	-18.72
Dipole, Da:	6.23
IP(EA), eV:	-9.58(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN(C)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations