Geometry & MOs

Info

ID:	87253
PubChem CID:	49893447
Reduced:	SCl2N2O6H14C19 (1)
Stoich.:	AB2C2D6E14F19 (1)
Weight, g/mol:	628.05289
ΔH_f, kcal/mol:	-122.11
Dipole, Da:	5.45
IP(EA), eV:	-9.54(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1O)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations