Geometry & MOs

Info

ID:	374331
PubChem CID:	131326882
Reduced:	NSO2F3H6C9 (1)
Stoich.:	ABC2D3E6F9 (1)
Weight, g/mol:	285.97532
ΔH_f, kcal/mol:	-207.3
Dipole, Da:	2.79
IP(EA), eV:	-8.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-7-fluoro-2H-indazole-6-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C(=CS2)O)N)OC(F)(F)F

DOS

IR

Vibrations