Geometry & MOs

Info

ID:	87026
PubChem CID:	49890745
Reduced:	BrSN2O6H23C24 (1)
Stoich.:	ABC2D6E23F24 (1)
Weight, g/mol:	466.015698
ΔH_f, kcal/mol:	-164.43
Dipole, Da:	5.04
IP(EA), eV:	-8.95(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)N3CCOCC3)Br)OCC4=CC=CC=C4

DOS

IR

Vibrations