Geometry & MOs

Info

ID:	146838
PubChem CID:	53757156
Reduced:	N3O5H27C32 (1)
Stoich.:	A3B5C27D32 (1)
Weight, g/mol:	347.1919
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	2.71
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethylidene]-3-methyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)C(=O)O)C5=CC=CC=C5

DOS

IR

Vibrations