Geometry & MOs

Info

ID:	304415
PubChem CID:	124588055
Reduced:	SN2O3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	340.04226
ΔH_f, kcal/mol:	-72.21
Dipole, Da:	5.15
IP(EA), eV:	-9.73(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-1-(3-bromopyridine-4-carbonyl)piperidine-2-carboxylate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1OC2=CC=NC=C2)S(=O)(=O)C3CC3

DOS

IR

Vibrations