Geometry & MOs

Info

ID:	87330
PubChem CID:	49894073
Reduced:	ClSN2O5H23C30 (1)
Stoich.:	ABC2D5E23F30 (1)
Weight, g/mol:	415.047421
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	6.92
IP(EA), eV:	-8.87(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)NC3=CC=CC=C3)Cl)OCC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations