Geometry & MOs

Info

ID:	26612
PubChem CID:	793510
Reduced:	NO2C15H25 (1)
Stoich.:	AB2C15D25 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	0.83
IP(EA), eV:	-8.74(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@](C)(C#CCN1CCCCC1)OC(=O)C

DOS

IR

Vibrations