Geometry & MOs

Info

ID:	246768
PubChem CID:	103064841
Reduced:	FNSO2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	300.97721
ΔH_f, kcal/mol:	-115.27
Dipole, Da:	6.26
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(thiolan-3-ylamino)benzoic acid

Drug info:

PubChemData

Smile

C1CSCC1NC2=C(C(=CC=C2)F)C(=O)O

DOS

IR

Vibrations