Geometry & MOs

Info

ID:	87654
PubChem CID:	49896294
Reduced:	BrSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	409.053942
ΔH_f, kcal/mol:	-75.42
Dipole, Da:	2.36
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-[(3-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)NC4=CC=CC=C4)Br)/SC2=O

DOS

IR

Vibrations