Geometry & MOs

Info

ID:	293714
PubChem CID:	117397328
Reduced:	ClFNO4H5C10 (1)
Stoich.:	ABCD4E5F10 (1)
Weight, g/mol:	256.989113
ΔH_f, kcal/mol:	-117.24
Dipole, Da:	1.99
IP(EA), eV:	-9.24(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(5-chloro-3-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2-oxazole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C(=C/C(=C/2\C=C(ON2)C(=O)O)/C1=O)Cl)F

DOS

IR

Vibrations