Geometry & MOs

Info

ID:	64388
PubChem CID:	29199444
Reduced:	SO3N4C24H33 (1)
Stoich.:	AB3C4D24E33 (1)
Weight, g/mol:	285.062363
ΔH_f, kcal/mol:	-37.79
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752228
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-methyl-N-phenyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N4CC[NH+](CC4)C

DOS

IR

Vibrations