Geometry & MOs

Info

ID:	86538
PubChem CID:	49886819
Reduced:	SN2O6H12C18 (1)
Stoich.:	AB2C6D12E18 (1)
Weight, g/mol:	479.095807
ΔH_f, kcal/mol:	-80.5
Dipole, Da:	6.05
IP(EA), eV:	-9.7(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-benzyl-5-[(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations