Geometry & MOs

Info

ID:	414322
PubChem CID:	135087278
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	349.038686
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	3.92
IP(EA), eV:	-7.89(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2OC)OC)NCC(C3=CN=CC=C3)N4CCCCC4

DOS

IR

Vibrations