Geometry & MOs

Info

ID:	87410
PubChem CID:	49894514
Reduced:	IN2S2O7H23C27 (1)
Stoich.:	AB2C2D7E23F27 (1)
Weight, g/mol:	447.97286
ΔH_f, kcal/mol:	-187.41
Dipole, Da:	7.9
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)I)OS(=O)(=O)C4=CC=C(C=C4)NC(=O)C)OC)/SC2=O

DOS

IR

Vibrations