Geometry & MOs

Info

ID:	87146
PubChem CID:	49892649
Reduced:	NCl2S2O3H13C21 (1)
Stoich.:	AB2C2D3E13F21 (1)
Weight, g/mol:	491.10887
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	4.49
IP(EA), eV:	-8.86(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-[(2,4-dichlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations