Geometry & MOs

Info

ID:	263064
PubChem CID:	103337939
Reduced:	SO3C10H14 (1)
Stoich.:	AB3C10D14 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-110.05
Dipole, Da:	2.09
IP(EA), eV:	-9.13(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(4-cyano-2,6-dimethylphenoxy)propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)OCCC1=CC=CS1

DOS

IR

Vibrations