Geometry & MOs

Info

ID:	422905
PubChem CID:	135118594
Reduced:	FNO4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	359.120272
ΔH_f, kcal/mol:	-181.89
Dipole, Da:	1.58
IP(EA), eV:	-9.06(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-1-(4-fluoro-2-methylphenyl)sulfonyl-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)F)CN2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations