Geometry & MOs

Info

ID:	62488
PubChem CID:	26719790
Reduced:	FSN4O5H19C23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	289.037291
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	6.54
IP(EA), eV:	-8.98(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(3-fluorophenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NC3=CC(=CC=C3)F)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations