Geometry & MOs

Info

ID:	86600
PubChem CID:	49887534
Reduced:	ClSN2O6H21C26 (1)
Stoich.:	ABC2D6E21F26 (1)
Weight, g/mol:	497.086385
ΔH_f, kcal/mol:	-88.2
Dipole, Da:	4.82
IP(EA), eV:	-8.97(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-[(2-chlorophenyl)methyl]-5-[[3-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Cl)OCC4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations