Geometry & MOs

Info

ID:	87211
PubChem CID:	49893224
Reduced:	ClNS2O7H20C25 (1)
Stoich.:	ABC2D7E20F25 (1)
Weight, g/mol:	437.984398
ΔH_f, kcal/mol:	-194.65
Dipole, Da:	7.27
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl)OC

DOS

IR

Vibrations