Geometry & MOs

Info

ID:	231820
PubChem CID:	87574724
Reduced:	SN3F4O4H21C22 (1)
Stoich.:	AB3C4D4E21F22 (1)
Weight, g/mol:	405.077928
ΔH_f, kcal/mol:	-256.26
Dipole, Da:	4.76
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chlorobenzenecarboperoxoic acid;2-(3-fluoro-4-methoxyphenyl)-3-methyl-1-oxidopyridin-1-ium

Drug info:

PubChemData

Smile

CCOCC1=C(C=CC(=N1)C(F)(F)F)/C=C\C(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations