Geometry & MOs

Info

ID:	417796
PubChem CID:	135102775
Reduced:	SN3O5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	369.049393
ΔH_f, kcal/mol:	-167.17
Dipole, Da:	4.56
IP(EA), eV:	-9.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations