Geometry & MOs

Info

ID:	86652
PubChem CID:	49888254
Reduced:	ClSN2O4H17C21 (1)
Stoich.:	ABC2D4E17F21 (1)
Weight, g/mol:	382.054277
ΔH_f, kcal/mol:	-70.61
Dipole, Da:	4.12
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[(1-methylindol-3-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=C3Cl)OCC#N

DOS

IR

Vibrations