Geometry & MOs

Info

ID:	51080
PubChem CID:	12013703
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-140.97
Dipole, Da:	6.6
IP(EA), eV:	-8.75(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[(3S)-2-oxo-1-phenylmethoxyazetidin-3-yl]ethyl] acetate

Drug info:

PubChemData

Smile

CCSC[C@@H]([C@@H](C)OC(=O)C)C(=O)NOCC1=CC=CC=C1

DOS

IR

Vibrations