Geometry & MOs

Info

ID:	88310
PubChem CID:	49902875
Reduced:	BrNS2O6H18C24 (1)
Stoich.:	ABC2D6E18F24 (1)
Weight, g/mol:	413.004405
ΔH_f, kcal/mol:	-141.97
Dipole, Da:	10.39
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3,4-dichlorophenyl)methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations