Geometry & MOs

Info

ID:	126742
PubChem CID:	50976320
Reduced:	ClON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	367.070128
ΔH_f, kcal/mol:	-8.05
Dipole, Da:	2.23
IP(EA), eV:	-9.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4S)-4-hydroxy-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)N(CC1=CC=CC=C1Cl)C(=O)C2=CN=CN2C

DOS

IR

Vibrations