Geometry & MOs

Info

ID:	374450
PubChem CID:	131329742
Reduced:	SF2N2H6C10 (1)
Stoich.:	AB2C2D6E10 (1)
Weight, g/mol:	272.98007
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	2.25
IP(EA), eV:	-8.87(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-amino-7-bromo-4-fluoro-2,3-dihydroindene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)C#N)N)C(F)F

DOS

IR

Vibrations