Geometry & MOs

Info

ID:	68451
PubChem CID:	46508435
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	437.109707
ΔH_f, kcal/mol:	-3.07
Dipole, Da:	5.86
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CCC2=NC(=NO2)C3=CC=NC=C3

DOS

IR

Vibrations