Geometry & MOs

Info

ID:	69654
PubChem CID:	47205091
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	309.013889
ΔH_f, kcal/mol:	15.75
Dipole, Da:	4.87
IP(EA), eV:	-9.72(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-fluoro-N-(1H-pyrazol-5-ylmethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NCC2=CC=NN2)Br

DOS

IR

Vibrations