Geometry & MOs

Info

ID:	87712
PubChem CID:	49896744
Reduced:	BrClSN2O5H24C28 (1)
Stoich.:	ABCD2E5F24G28 (1)
Weight, g/mol:	359.038292
ΔH_f, kcal/mol:	-130.79
Dipole, Da:	4.89
IP(EA), eV:	-8.84(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC(=O)NC4=CC(=C(C=C4)C)Cl)OC)/SC2=O

DOS

IR

Vibrations