Geometry & MOs

Info

ID:	87407
PubChem CID:	49894503
Reduced:	ClSN3O6H24C28 (1)
Stoich.:	ABC3D6E24F28 (1)
Weight, g/mol:	526.92246
ΔH_f, kcal/mol:	-163.75
Dipole, Da:	2.91
IP(EA), eV:	-8.96(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC)Cl

DOS

IR

Vibrations