Geometry & MOs

Info

ID:	76822
PubChem CID:	48425429
Reduced:	N3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	322.115127
ΔH_f, kcal/mol:	-80.85
Dipole, Da:	1.08
IP(EA), eV:	-9.54(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-5-fluoro-3-methyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=NC=C1)OCC2=CC=CC=C2

DOS

IR

Vibrations