Geometry & MOs

Info

ID:	87427
PubChem CID:	49894575
Reduced:	ClSN2O5H23C27 (1)
Stoich.:	ABC2D5E23F27 (1)
Weight, g/mol:	576.87056
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	7.01
IP(EA), eV:	-8.87(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-3-[(4-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Cl)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4)OC

DOS

IR

Vibrations