Geometry & MOs

Info

ID:	226651
PubChem CID:	87550962
Reduced:	SO3C4F5H5 (1)
Stoich.:	AB3C4D5E5 (1)
Weight, g/mol:	449.067758
ΔH_f, kcal/mol:	-399.43
Dipole, Da:	5.55
IP(EA), eV:	-12.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobenzenecarboperoxoic acid;methyl 2-(7-fluoro-2-methoxyquinolin-8-yl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CCS(=O)(=O)OC(C(F)(F)F)(F)F

DOS

IR

Vibrations