Geometry & MOs

Info

ID:	158091
PubChem CID:	56462965
Reduced:	BrFON3H17C19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	354.120213
ΔH_f, kcal/mol:	-20.34
Dipole, Da:	3.97
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-3-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C(=CC=C2)F)NC(=O)C3=C(C4=CC=CC=C4N3)Br

DOS

IR

Vibrations