Geometry & MOs

Info

ID:	86776
PubChem CID:	49889212
Reduced:	ClSN3O4H18C26 (1)
Stoich.:	ABC3D4E18F26 (1)
Weight, g/mol:	464.9801
ΔH_f, kcal/mol:	8.82
Dipole, Da:	7.21
IP(EA), eV:	-8.92(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(5-bromo-2-propoxyphenyl)methylidene]-3-[(4-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)[N+](=O)[O-])/C=C\4/C(=O)N(C(=O)S4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations