Geometry & MOs

Info

ID:	318326
PubChem CID:	126650516
Reduced:	S2O3F4N4H18C24 (1)
Stoich.:	A2B3C4D4E18F24 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-207.1
Dipole, Da:	8.72
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(hydroxymethyl)-4-(4-methoxyphenyl)-3-methylpiperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=C(C=CC(=C2)C(F)(F)F)[C@@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC=C(C=N5)F

DOS

IR

Vibrations