Geometry & MOs

Info

ID:	55691
PubChem CID:	17395847
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	369.086864
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	3.62
IP(EA), eV:	-9.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-methyl-N-propyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations