Geometry & MOs

Info

ID:	43467
PubChem CID:	10321341
Reduced:	O6H26C27 (1)
Stoich.:	A6B26C27 (1)
Weight, g/mol:	446.131171
ΔH_f, kcal/mol:	-175.84
Dipole, Da:	6.14
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[2-[3-[[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]cyclohexyl]oxyethylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCOC1=CC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations