Geometry & MOs

Info

ID:	58591
PubChem CID:	24712233
Reduced:	NSO3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	313.11365
ΔH_f, kcal/mol:	-114.77
Dipole, Da:	4.99
IP(EA), eV:	-8.96(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxy-2-phenylethyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(CN1C(SCC1=O)C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations