Geometry & MOs

Info

ID:	87360
PubChem CID:	49894287
Reduced:	SN4O6C30H30 (1)
Stoich.:	AB4C6D30E30 (1)
Weight, g/mol:	407.064986
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	12.11
IP(EA), eV:	-8.72(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)OCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations