Geometry & MOs

Info

ID:	293270
PubChem CID:	117380642
Reduced:	FNO3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	251.025229
ΔH_f, kcal/mol:	-144.62
Dipole, Da:	5.29
IP(EA), eV:	-9.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)C2(CCCC2)N=C=O)O

DOS

IR

Vibrations