Geometry & MOs

Info

ID:	318482
PubChem CID:	126651494
Reduced:	NS2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	243.02588
ΔH_f, kcal/mol:	-179.18
Dipole, Da:	6.91
IP(EA), eV:	-9.31(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromoethynyl)-1-(oxan-4-yl)azetidine

Drug info:

PubChemData

Smile

C[C@@](CCN1CC2=C(C1=O)SC=C2)(C(=O)O)S(=O)(=O)C

DOS

IR

Vibrations