Geometry & MOs

Info

ID:	302798
PubChem CID:	124395966
Reduced:	ClN4O6H19C23 (1)
Stoich.:	AB4C6D19E23 (1)
Weight, g/mol:	484.146821
ΔH_f, kcal/mol:	-53.22
Dipole, Da:	7.18
IP(EA), eV:	-8.61(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[3-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations