Geometry & MOs

Info

ID:	418773
PubChem CID:	135106784
Reduced:	ON5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	317.073322
ΔH_f, kcal/mol:	22.81
Dipole, Da:	4.54
IP(EA), eV:	-9.28(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCC2=NC(=O)C3=CC=CC=C3N2)C

DOS

IR

Vibrations