Geometry & MOs

Info

ID:	416234
PubChem CID:	135089244
Reduced:	ClN3O3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	386.060629
ΔH_f, kcal/mol:	-81.29
Dipole, Da:	2.82
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophen-3-yl]sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)COC3=CC(=CC=C3)Cl

DOS

IR

Vibrations