Geometry & MOs

Info

ID:	209961
PubChem CID:	80743327
Reduced:	FN2O2S3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	314.073656
ΔH_f, kcal/mol:	-103.47
Dipole, Da:	2.11
IP(EA), eV:	-8.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-5-[(2-methylthiolan-2-yl)methylamino]-2-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC1(CCCS1)CNS(=O)(=O)C2=CC=CC(=C2C(=S)N)F

DOS

IR

Vibrations