Geometry & MOs

Info

ID:	87812
PubChem CID:	49897668
Reduced:	SI2N2O4H12C18 (1)
Stoich.:	AB2C2D4E12F18 (1)
Weight, g/mol:	519.110021
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	2.48
IP(EA), eV:	-9.13(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-methoxy-3-[(2-nitrophenyl)methoxy]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)I)I)O)/SC2=O

DOS

IR

Vibrations