Geometry & MOs

Info

ID:	302594
PubChem CID:	124385241
Reduced:	OC3H3 (6)
Stoich.:	AB3C3 (6)
Weight, g/mol:	255.066221
ΔH_f, kcal/mol:	-198.23
Dipole, Da:	7.26
IP(EA), eV:	-9.82(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[(6-chloropyridin-3-yl)methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@H]([C@@H](C(=O)O)OCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations