Geometry & MOs

Info

ID:	416526
PubChem CID:	135089561
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	369.049393
ΔH_f, kcal/mol:	-69.84
Dipole, Da:	6.05
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1(C(=O)N)C(=O)N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations