Geometry & MOs

Info

ID:	233956
PubChem CID:	92297421
Reduced:	SN2O4C11H14 (1)
Stoich.:	AB2C4D11E14 (1)
Weight, g/mol:	240.055322
ΔH_f, kcal/mol:	-140.79
Dipole, Da:	3.44
IP(EA), eV:	-9.66(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylethyl] 4-chloro-3-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NS(=O)(=O)N2CCOC2=O

DOS

IR

Vibrations