Geometry & MOs

Info

ID:	205733
PubChem CID:	80147546
Reduced:	BrSO3C6H11 (1)
Stoich.:	ABC3D6E11 (1)
Weight, g/mol:	293.142722
ΔH_f, kcal/mol:	-134.77
Dipole, Da:	5.69
IP(EA), eV:	-10.53(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-acetyl-4-fluoro-5-methylphenyl)piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=O)CBr)S(=O)(=O)C

DOS

IR

Vibrations