Geometry & MOs

Info

ID:	86725
PubChem CID:	49888704
Reduced:	ClSN2O2H21C24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	390.00772
ΔH_f, kcal/mol:	-24.7
Dipole, Da:	5.78
IP(EA), eV:	-8.66(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C(=CC=C2)Cl)C)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations