Geometry & MOs

Info

ID:	61317
PubChem CID:	26708130
Reduced:	NBr2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	441.00457
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	3.51
IP(EA), eV:	-9.27(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl) (3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Br)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC

DOS

IR

Vibrations