Geometry & MOs

Info

ID:	16579
PubChem CID:	473172
Reduced:	NSCl2O2C20H21 (1)
Stoich.:	ABC2D2E20F21 (1)
Weight, g/mol:	409.067005
ΔH_f, kcal/mol:	-81.17
Dipole, Da:	2.56
IP(EA), eV:	-8.82(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-5-methyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3C)O)C(C)C

DOS

IR

Vibrations