Geometry & MOs

Info

ID:	53286
PubChem CID:	14710100
Reduced:	ClO4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	310.097187
ΔH_f, kcal/mol:	-155.36
Dipole, Da:	2.58
IP(EA), eV:	-9.63(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyclobutyl-2-methoxy-2-oxo-1-phenylethyl] (2S)-2-chloropropanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@](C1CCC1)(C2=CC=CC=C2)C(=O)OC)Cl

DOS

IR

Vibrations