Geometry & MOs

Info

ID:	227646
PubChem CID:	87562157
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	229.981391
ΔH_f, kcal/mol:	-22.5
Dipole, Da:	4.96
IP(EA), eV:	-9.02(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3,4,4,4-hexafluoro-2-fluorooxybutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)C2=CC\3=C(C=C2)N=C(/C3=C\NO)C)C

DOS

IR

Vibrations