Geometry & MOs

Info

ID:	411573
PubChem CID:	135084405
Reduced:	INOC13H22 (1)
Stoich.:	ABCD13E22 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-16.18
Dipole, Da:	4.31
IP(EA), eV:	-8.94(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxyphenyl)acetyl]-1,3-thiazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)/C=C(\CN1CCCC[C@H]1CC=O)/I

DOS

IR

Vibrations