Geometry & MOs

Info

ID:	374422
PubChem CID:	131328987
Reduced:	BrSN3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	208.053572
ΔH_f, kcal/mol:	47.12
Dipole, Da:	4.64
IP(EA), eV:	-8.53(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-7-oxo-6,8-dihydro-5H-naphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C2=C(N=CC=C2)Br)N

DOS

IR

Vibrations