Geometry & MOs

Info

ID:	284747
PubChem CID:	104067495
Reduced:	SN2O2F3H9C13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	327.018842
ΔH_f, kcal/mol:	-177.56
Dipole, Da:	3.9
IP(EA), eV:	-9.45(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfinylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC2=NC=CC(=N2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations