Geometry & MOs

Info

ID:	87341
PubChem CID:	49894178
Reduced:	ClSN3O6H14C22 (1)
Stoich.:	ABC3D6E14F22 (1)
Weight, g/mol:	439.064507
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	3.09
IP(EA), eV:	-8.96(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])/SC2=O

DOS

IR

Vibrations