Geometry & MOs

Info

ID:	88502
PubChem CID:	49903919
Reduced:	SN2O5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	518.01472
ΔH_f, kcal/mol:	-66.65
Dipole, Da:	7.58
IP(EA), eV:	-9.15(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(3-bromo-5-ethoxy-4-prop-2-enoxyphenyl)methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations