Geometry & MOs

Info

ID:	416272
PubChem CID:	135089284
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	-31.46
Dipole, Da:	2.18
IP(EA), eV:	-9.26(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CC2=CSC=C2)CC(=O)O

DOS

IR

Vibrations