Geometry & MOs

Info

ID:	421907
PubChem CID:	135116820
Reduced:	FN2S2O5C14H21 (1)
Stoich.:	AB2C2D5E14F21 (1)
Weight, g/mol:	414.179087
ΔH_f, kcal/mol:	-236.33
Dipole, Da:	2.43
IP(EA), eV:	-9.85(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-carboxy-4-hydroxy-3-propylpiperidin-1-yl]-6-(4-methoxyphenyl)pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations