Geometry & MOs

Info

ID:	53285
PubChem CID:	14710092
Reduced:	ClO4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	310.097187
ΔH_f, kcal/mol:	-182.72
Dipole, Da:	4.4
IP(EA), eV:	-10.7(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@](C)(CC=C)C(=O)O)Cl

DOS

IR

Vibrations