Geometry & MOs

Info

ID:	304383
PubChem CID:	124570924
Reduced:	BrN2O3C10H13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	342.197714
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	5.5
IP(EA), eV:	-9.76(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-oxan-2-yl]methoxy]-N-[[(2R)-thiolan-2-yl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]([C@@H](C1=CC(=CN=C1)Br)O)N

DOS

IR

Vibrations