Geometry & MOs

Info

ID:	86721
PubChem CID:	49888665
Reduced:	ClSN2O5H23C27 (1)
Stoich.:	ABC2D5E23F27 (1)
Weight, g/mol:	454.03902
ΔH_f, kcal/mol:	-119.51
Dipole, Da:	2.92
IP(EA), eV:	-8.92(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(4-chlorophenyl)methyl]-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations